smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000019742777 202017939 /nfs/dbraw/zinc/01/79/39/202017939.db2.gz XRXYYHWXDORXSE-QFIPXVFZSA-N 2 1 343.559 3.533 50 0 EHAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000019742777 202017941 /nfs/dbraw/zinc/01/79/41/202017941.db2.gz XRXYYHWXDORXSE-QFIPXVFZSA-N 2 1 343.559 3.533 50 0 EHAAMP CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CC[NH+](C)CC3)C2)cc1 ZINC000019742777 202017944 /nfs/dbraw/zinc/01/79/44/202017944.db2.gz XRXYYHWXDORXSE-QFIPXVFZSA-N 2 1 343.559 3.533 50 0 EHAAMP C[N@@H+](Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072150318 203172366 /nfs/dbraw/zinc/17/23/66/203172366.db2.gz ZQJSULCYULMYOQ-MAUKXSAKSA-N 2 1 344.528 3.835 50 0 EHAAMP C[N@H+](Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072150318 203172369 /nfs/dbraw/zinc/17/23/69/203172369.db2.gz ZQJSULCYULMYOQ-MAUKXSAKSA-N 2 1 344.528 3.835 50 0 EHAAMP C[NH+](Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072150318 203172372 /nfs/dbraw/zinc/17/23/72/203172372.db2.gz ZQJSULCYULMYOQ-MAUKXSAKSA-N 2 1 344.528 3.835 50 0 EHAAMP C[NH+](Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072150318 203172376 /nfs/dbraw/zinc/17/23/76/203172376.db2.gz ZQJSULCYULMYOQ-MAUKXSAKSA-N 2 1 344.528 3.835 50 0 EHAAMP Cc1[nH+]c(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c2ccccn12 ZINC000106944561 204221583 /nfs/dbraw/zinc/22/15/83/204221583.db2.gz OTSJHUJQJPPEJO-OAQYLSRUSA-N 2 1 340.515 3.585 50 0 EHAAMP CC1(C)C[N@@H+](Cc2cc(C[NH+]3CCCCC3)cs2)CC[C@]1(C)O ZINC000091817614 563975798 /nfs/dbraw/zinc/97/57/98/563975798.db2.gz FGRFSMJVTRQYPB-IBGZPJMESA-N 2 1 336.545 3.717 50 0 EHAAMP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000129846482 564081717 /nfs/dbraw/zinc/08/17/17/564081717.db2.gz WDXMOROHCUQYNZ-HOTGVXAUSA-N 2 1 348.453 3.732 50 0 EHAAMP CCCC[N@@H+](C)CC1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000170603414 564109531 /nfs/dbraw/zinc/10/95/31/564109531.db2.gz PWULCHFUHCKNSH-UHFFFAOYSA-N 2 1 327.472 3.889 50 0 EHAAMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000888098544 1043261186 /nfs/dbraw/zinc/26/11/86/1043261186.db2.gz KJDPCRSTPWEPIE-NSHDSACASA-N 2 1 336.277 3.675 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544800 1131568520 /nfs/dbraw/zinc/56/85/20/1131568520.db2.gz BHNUUWIJPIZOQR-HXUWFJFHSA-N 2 1 346.478 3.699 50 0 EHAAMP C[N@H+](Cc1ccccn1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011818631 563651498 /nfs/dbraw/zinc/65/14/98/563651498.db2.gz BWUZBWWRXBQBJQ-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP Cc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c(C)o2)s1 ZINC000067675664 563962463 /nfs/dbraw/zinc/96/24/63/563962463.db2.gz SHBGYCJGAQKWBW-UHFFFAOYSA-N 2 1 331.485 3.595 50 0 EHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000104639826 564074999 /nfs/dbraw/zinc/07/49/99/564074999.db2.gz YHNKFBGZWZSVCW-WMZOPIPTSA-N 2 1 337.471 3.514 50 0 EHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000104639826 564075000 /nfs/dbraw/zinc/07/50/00/564075000.db2.gz YHNKFBGZWZSVCW-WMZOPIPTSA-N 2 1 337.471 3.514 50 0 EHAAMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000095971785 564143416 /nfs/dbraw/zinc/14/34/16/564143416.db2.gz QZYJKRRQYOUOFT-QHAWAJNXSA-N 2 1 341.543 3.893 50 0 EHAAMP CC[N@@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257196599 1038561144 /nfs/dbraw/zinc/56/11/44/1038561144.db2.gz YNHQCRDCSDHNRX-HXUWFJFHSA-N 2 1 338.499 3.562 50 0 EHAAMP CC[N@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257196599 1038561146 /nfs/dbraw/zinc/56/11/46/1038561146.db2.gz YNHQCRDCSDHNRX-HXUWFJFHSA-N 2 1 338.499 3.562 50 0 EHAAMP COc1ccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1C ZINC000575549507 1131572639 /nfs/dbraw/zinc/57/26/39/1131572639.db2.gz MTGVOOKOKSOWTF-SFHVURJKSA-N 2 1 325.456 3.833 50 0 EHAAMP COc1ccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1C ZINC000575549507 1131572643 /nfs/dbraw/zinc/57/26/43/1131572643.db2.gz MTGVOOKOKSOWTF-SFHVURJKSA-N 2 1 325.456 3.833 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000216192213 241172932 /nfs/dbraw/zinc/17/29/32/241172932.db2.gz JHLQSJNVRBCSSE-UHFFFAOYSA-N 2 1 344.459 3.747 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000216192213 241172935 /nfs/dbraw/zinc/17/29/35/241172935.db2.gz JHLQSJNVRBCSSE-UHFFFAOYSA-N 2 1 344.459 3.747 50 0 EHAAMP Cc1cc[nH+]c(N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000011820851 563651142 /nfs/dbraw/zinc/65/11/42/563651142.db2.gz CVKDNNHTFJLCJH-HXUWFJFHSA-N 2 1 336.483 3.524 50 0 EHAAMP C[NH+]1CCC(C)(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)CC1 ZINC000055342200 563934426 /nfs/dbraw/zinc/93/44/26/563934426.db2.gz XASPNDHTDKNIAI-UHFFFAOYSA-N 2 1 341.474 3.955 50 0 EHAAMP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000058049570 563936958 /nfs/dbraw/zinc/93/69/58/563936958.db2.gz HWUVCCYJVUIJAX-UHFFFAOYSA-N 2 1 325.387 3.618 50 0 EHAAMP C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000097638000 563981752 /nfs/dbraw/zinc/98/17/52/563981752.db2.gz XMOBPLJGQQVCJQ-INIZCTEOSA-N 2 1 344.528 3.587 50 0 EHAAMP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC000089583170 564092944 /nfs/dbraw/zinc/09/29/44/564092944.db2.gz GRSHEQJUSIWHHH-IBGZPJMESA-N 2 1 347.462 3.856 50 0 EHAAMP Cc1cncc(CN(C)[C@H]2CCC[N@@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135580 /nfs/dbraw/zinc/13/55/80/564135580.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 2 1 338.499 3.580 50 0 EHAAMP OC1(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000630061455 1137299003 /nfs/dbraw/zinc/29/90/03/1137299003.db2.gz XGXKOTADXMSFJW-ICSRJNTNSA-N 2 1 328.500 3.639 50 0 EHAAMP OC1(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000630061455 1137299004 /nfs/dbraw/zinc/29/90/04/1137299004.db2.gz XGXKOTADXMSFJW-ICSRJNTNSA-N 2 1 328.500 3.639 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc2nsnc2c1 ZINC000077302067 203378455 /nfs/dbraw/zinc/37/84/55/203378455.db2.gz DTDLCROHEGEJCL-INIZCTEOSA-N 2 1 341.484 3.641 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc2nsnc2c1 ZINC000077302067 203378459 /nfs/dbraw/zinc/37/84/59/203378459.db2.gz DTDLCROHEGEJCL-INIZCTEOSA-N 2 1 341.484 3.641 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000129373184 205192108 /nfs/dbraw/zinc/19/21/08/205192108.db2.gz LZTPYZUNFXVPAW-CABCVRRESA-N 2 1 338.377 3.786 50 0 EHAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135719 563885090 /nfs/dbraw/zinc/88/50/90/563885090.db2.gz VVRJVEBKDAHHAI-OSLDLMBLSA-N 2 1 338.442 3.984 50 0 EHAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2c(F)cccc2Cl)C1 ZINC000097815038 563981989 /nfs/dbraw/zinc/98/19/89/563981989.db2.gz WPPZWTXUEIRTSE-AWEZNQCLSA-N 2 1 348.849 3.839 50 0 EHAAMP Cc1cn2c(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)c(C)nc2s1 ZINC000237078770 564117729 /nfs/dbraw/zinc/11/77/29/564117729.db2.gz FZKJVUQLZLPDGQ-UHFFFAOYSA-N 2 1 342.512 3.624 50 0 EHAAMP Cc1cn2c(C[NH2+]CCC[N@H+](C)Cc3ccccc3)c(C)nc2s1 ZINC000237078770 564117730 /nfs/dbraw/zinc/11/77/30/564117730.db2.gz FZKJVUQLZLPDGQ-UHFFFAOYSA-N 2 1 342.512 3.624 50 0 EHAAMP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000097238359 564149580 /nfs/dbraw/zinc/14/95/80/564149580.db2.gz QONNYCNODVPBRE-LBPRGKRZSA-N 2 1 346.441 3.586 50 0 EHAAMP Cc1ccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CCOCC3)C2)s1 ZINC000575548813 1131572461 /nfs/dbraw/zinc/57/24/61/1131572461.db2.gz JSBVSEFSENOWHM-QGZVFWFLSA-N 2 1 345.512 3.902 50 0 EHAAMP Cc1ccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CCOCC3)C2)s1 ZINC000575548813 1131572465 /nfs/dbraw/zinc/57/24/65/1131572465.db2.gz JSBVSEFSENOWHM-QGZVFWFLSA-N 2 1 345.512 3.902 50 0 EHAAMP Cc1cc(NCCCn2cc[nH+]c2C(C)C)nc(N2CCCCC2)[nH+]1 ZINC000952980456 1137484698 /nfs/dbraw/zinc/48/46/98/1137484698.db2.gz KYPQGOJMHVLJQR-UHFFFAOYSA-N 2 1 342.491 3.597 50 0 EHAAMP Cc1cc(N2CCC[N@H+](Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC000072131887 203166470 /nfs/dbraw/zinc/16/64/70/203166470.db2.gz IWTPKAHNUWWYPQ-UHFFFAOYSA-N 2 1 333.838 3.895 50 0 EHAAMP Cc1cc(N2CCC[N@@H+](Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC000072131887 203166473 /nfs/dbraw/zinc/16/64/73/203166473.db2.gz IWTPKAHNUWWYPQ-UHFFFAOYSA-N 2 1 333.838 3.895 50 0 EHAAMP Fc1ccc(COC(C[NH+]2CCCCC2)C[NH+]2CCCCC2)cc1 ZINC000004828680 563512332 /nfs/dbraw/zinc/51/23/32/563512332.db2.gz GASSHFRTJIGWGH-UHFFFAOYSA-N 2 1 334.479 3.683 50 0 EHAAMP CC/C=C(\C)C[NH+]1CCC(n2cc(C[N@@H+]3CCC(C)(C)C3)nn2)CC1 ZINC000048501668 563930476 /nfs/dbraw/zinc/93/04/76/563930476.db2.gz SEAGIWIHWHBJNM-UBKPWBPPSA-N 2 1 345.535 3.503 50 0 EHAAMP CC/C=C(\C)C[NH+]1CCC(n2cc(C[N@H+]3CCC(C)(C)C3)nn2)CC1 ZINC000048501668 563930477 /nfs/dbraw/zinc/93/04/77/563930477.db2.gz SEAGIWIHWHBJNM-UBKPWBPPSA-N 2 1 345.535 3.503 50 0 EHAAMP Cc1ccc2[nH]cc(CN3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000067821195 563962813 /nfs/dbraw/zinc/96/28/13/563962813.db2.gz NBQCKYVBFSGURM-CALCHBBNSA-N 2 1 341.499 3.550 50 0 EHAAMP Cc1ccc2[nH]cc(CN3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000067821195 563962814 /nfs/dbraw/zinc/96/28/14/563962814.db2.gz NBQCKYVBFSGURM-CALCHBBNSA-N 2 1 341.499 3.550 50 0 EHAAMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641687 564013497 /nfs/dbraw/zinc/01/34/97/564013497.db2.gz GLMGOLARIGOMTN-QRWLVFNGSA-N 2 1 344.886 3.757 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)n1CC1CC1 ZINC000169787416 1032649141 /nfs/dbraw/zinc/64/91/41/1032649141.db2.gz QQYNOSOTYKFBFM-INIZCTEOSA-N 2 1 345.437 3.944 50 0 EHAAMP CNc1nc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072150726 203173642 /nfs/dbraw/zinc/17/36/42/203173642.db2.gz MAKLXCHQABVMAU-GOSISDBHSA-N 2 1 344.528 3.974 50 0 EHAAMP CNc1nc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072150726 203173646 /nfs/dbraw/zinc/17/36/46/203173646.db2.gz MAKLXCHQABVMAU-GOSISDBHSA-N 2 1 344.528 3.974 50 0 EHAAMP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000077354398 203382801 /nfs/dbraw/zinc/38/28/01/203382801.db2.gz OQRDAJIFTFWOPJ-UHFFFAOYSA-N 2 1 333.838 3.895 50 0 EHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(F)cc2Cl)CC1 ZINC000077354398 203382804 /nfs/dbraw/zinc/38/28/04/203382804.db2.gz OQRDAJIFTFWOPJ-UHFFFAOYSA-N 2 1 333.838 3.895 50 0 EHAAMP Cc1cc[nH+]c(N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000011820852 563651188 /nfs/dbraw/zinc/65/11/88/563651188.db2.gz CVKDNNHTFJLCJH-FQEVSTJZSA-N 2 1 336.483 3.524 50 0 EHAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(C)[nH+]1 ZINC000091441377 563975394 /nfs/dbraw/zinc/97/53/94/563975394.db2.gz YBFRVMHTMNYSPH-LJQANCHMSA-N 2 1 347.466 3.722 50 0 EHAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091894357 563975840 /nfs/dbraw/zinc/97/58/40/563975840.db2.gz AYILHWODKSIFLH-FQEVSTJZSA-N 2 1 335.495 3.783 50 0 EHAAMP COCc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000096479047 564148509 /nfs/dbraw/zinc/14/85/09/564148509.db2.gz CKDZOCVNJNIILK-MRXNPFEDSA-N 2 1 346.515 3.899 50 0 EHAAMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067184614 564165297 /nfs/dbraw/zinc/16/52/97/564165297.db2.gz AYZJWVXTLGCPIO-UHFFFAOYSA-N 2 1 338.455 3.787 50 0 EHAAMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000067975617 564167403 /nfs/dbraw/zinc/16/74/03/564167403.db2.gz ZGWYVQWRGBFPLO-KRWDZBQOSA-N 2 1 334.467 3.562 50 0 EHAAMP CCOc1ccccc1C[N@@H+]1CC[C@@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000575548847 1131572073 /nfs/dbraw/zinc/57/20/73/1131572073.db2.gz KHLPHTYMZLBJFQ-GOSISDBHSA-N 2 1 325.456 3.915 50 0 EHAAMP CCOc1ccccc1C[N@H+]1CC[C@@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000575548847 1131572075 /nfs/dbraw/zinc/57/20/75/1131572075.db2.gz KHLPHTYMZLBJFQ-GOSISDBHSA-N 2 1 325.456 3.915 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000952978946 1137484772 /nfs/dbraw/zinc/48/47/72/1137484772.db2.gz CKZHQQSWCMBKSF-INIZCTEOSA-N 2 1 343.471 3.594 50 0 EHAAMP C[NH+]1CCN(c2c3ccccc3[nH+]c3c2CCc2ccccc2-3)CC1 ZINC000000088000 563221421 /nfs/dbraw/zinc/22/14/21/563221421.db2.gz PFBWYXUNYFYQKU-UHFFFAOYSA-N 2 1 329.447 3.752 50 0 EHAAMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000085307295 564072478 /nfs/dbraw/zinc/07/24/78/564072478.db2.gz UFITUWFARCFVLL-DEOSSOPVSA-N 2 1 348.556 3.558 50 0 EHAAMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089735632 564113437 /nfs/dbraw/zinc/11/34/37/564113437.db2.gz BUHSABMWNMCVND-UHFFFAOYSA-N 2 1 328.847 3.963 50 0 EHAAMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968187 564143208 /nfs/dbraw/zinc/14/32/08/564143208.db2.gz CWKXMYHQGYPPCU-HIFRSBDPSA-N 2 1 342.936 3.943 50 0 EHAAMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(-c3cc[nH]n3)s2)cc1 ZINC000823709230 1131079304 /nfs/dbraw/zinc/07/93/04/1131079304.db2.gz OUXBCLLBFBAMQI-UHFFFAOYSA-N 2 1 340.496 3.832 50 0 EHAAMP CCn1cc(C[N@@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCC3)C2)cn1 ZINC000575547493 1131572002 /nfs/dbraw/zinc/57/20/02/1131572002.db2.gz FRUMGWYZYWDUHQ-QGZVFWFLSA-N 2 1 341.503 3.588 50 0 EHAAMP CCn1cc(C[N@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCC3)C2)cn1 ZINC000575547493 1131572006 /nfs/dbraw/zinc/57/20/06/1131572006.db2.gz FRUMGWYZYWDUHQ-QGZVFWFLSA-N 2 1 341.503 3.588 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000575548706 1131572092 /nfs/dbraw/zinc/57/20/92/1131572092.db2.gz IUOYGNGEPHNQLK-LJQANCHMSA-N 2 1 331.504 3.913 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000575548706 1131572095 /nfs/dbraw/zinc/57/20/95/1131572095.db2.gz IUOYGNGEPHNQLK-LJQANCHMSA-N 2 1 331.504 3.913 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000575548694 1131572153 /nfs/dbraw/zinc/57/21/53/1131572153.db2.gz IUOYGNGEPHNQLK-IBGZPJMESA-N 2 1 331.504 3.913 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000575548694 1131572156 /nfs/dbraw/zinc/57/21/56/1131572156.db2.gz IUOYGNGEPHNQLK-IBGZPJMESA-N 2 1 331.504 3.913 50 0 EHAAMP CCn1cc(C[N@@H+]2CCC[C@H](Cn3c(C)c[nH+]c3C3CCC3)C2)cn1 ZINC000575547492 1131572614 /nfs/dbraw/zinc/57/26/14/1131572614.db2.gz FRUMGWYZYWDUHQ-KRWDZBQOSA-N 2 1 341.503 3.588 50 0 EHAAMP CCn1cc(C[N@H+]2CCC[C@H](Cn3c(C)c[nH+]c3C3CCC3)C2)cn1 ZINC000575547492 1131572619 /nfs/dbraw/zinc/57/26/19/1131572619.db2.gz FRUMGWYZYWDUHQ-KRWDZBQOSA-N 2 1 341.503 3.588 50 0 EHAAMP c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000097159720 201379864 /nfs/dbraw/zinc/37/98/64/201379864.db2.gz ILUHVWINKPORBW-UHFFFAOYSA-N 2 1 336.439 3.539 50 0 EHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000072164605 203177148 /nfs/dbraw/zinc/17/71/48/203177148.db2.gz QWSVNNCSONHLOM-INIZCTEOSA-N 2 1 338.430 3.791 50 0 EHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000072164605 203177152 /nfs/dbraw/zinc/17/71/52/203177152.db2.gz QWSVNNCSONHLOM-INIZCTEOSA-N 2 1 338.430 3.791 50 0 EHAAMP CSCC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000299778559 258088454 /nfs/dbraw/zinc/08/84/54/258088454.db2.gz GXATXNDIDYKHAX-HXUWFJFHSA-N 2 1 332.557 3.974 50 0 EHAAMP C[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012308512 563657697 /nfs/dbraw/zinc/65/76/97/563657697.db2.gz GULZGAYLUZLDOY-IBGZPJMESA-N 2 1 341.474 3.607 50 0 EHAAMP C[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012308512 563657702 /nfs/dbraw/zinc/65/77/02/563657702.db2.gz GULZGAYLUZLDOY-IBGZPJMESA-N 2 1 341.474 3.607 50 0 EHAAMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012308512 563657704 /nfs/dbraw/zinc/65/77/04/563657704.db2.gz GULZGAYLUZLDOY-IBGZPJMESA-N 2 1 341.474 3.607 50 0 EHAAMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012308512 563657708 /nfs/dbraw/zinc/65/77/08/563657708.db2.gz GULZGAYLUZLDOY-IBGZPJMESA-N 2 1 341.474 3.607 50 0 EHAAMP CCn1cncc1-c1c(-c2ccccc2)ncn1C[C@@]1(C)CC[N@@H+](C)C1 ZINC000065488203 563961429 /nfs/dbraw/zinc/96/14/29/563961429.db2.gz HQDYDXGTFBRHRE-NRFANRHFSA-N 2 1 349.482 3.775 50 0 EHAAMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccn1 ZINC000090524797 564084625 /nfs/dbraw/zinc/08/46/25/564084625.db2.gz JKXPPPBNQXGMSF-HBMCJLEFSA-N 2 1 345.531 3.526 50 0 EHAAMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000096008363 564144622 /nfs/dbraw/zinc/14/46/22/564144622.db2.gz YNCOOVKBGWLBSC-CALCHBBNSA-N 2 1 336.545 3.502 50 0 EHAAMP C[C@H]1CCCC[N@H+]1C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000822409509 1130991513 /nfs/dbraw/zinc/99/15/13/1130991513.db2.gz BIJJDPQUBPNVJV-KRWDZBQOSA-N 2 1 347.572 3.793 50 0 EHAAMP [NH3+]CCCC[N@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000033359232 202259452 /nfs/dbraw/zinc/25/94/52/202259452.db2.gz WVLHHLRVNDMIAR-IBGZPJMESA-N 2 1 349.482 3.576 50 0 investigational EHAAMP [NH3+]CCCC[N@@H+](Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000033359232 202259454 /nfs/dbraw/zinc/25/94/54/202259454.db2.gz WVLHHLRVNDMIAR-IBGZPJMESA-N 2 1 349.482 3.576 50 0 investigational EHAAMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436699 205374753 /nfs/dbraw/zinc/37/47/53/205374753.db2.gz GLMGOLARIGOMTN-MGPUTAFESA-N 2 1 344.886 3.757 50 0 EHAAMP Cc1[nH+]ccn1Cc1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000097159355 563968342 /nfs/dbraw/zinc/96/83/42/563968342.db2.gz UVCRFLDCGNFYON-UHFFFAOYSA-N 2 1 337.471 3.550 50 0 EHAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000096162550 563979887 /nfs/dbraw/zinc/97/98/87/563979887.db2.gz QDFZILIUTXFHMB-OAQYLSRUSA-N 2 1 335.495 3.783 50 0 EHAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000097732553 563981820 /nfs/dbraw/zinc/98/18/20/563981820.db2.gz BYPDAUFQFDSREU-UHFFFAOYSA-N 2 1 349.482 3.598 50 0 EHAAMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000017313815 564011631 /nfs/dbraw/zinc/01/16/31/564011631.db2.gz PAABQSQTUZNSQR-UHFFFAOYSA-N 2 1 344.478 3.591 50 0 EHAAMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000225509772 564047412 /nfs/dbraw/zinc/04/74/12/564047412.db2.gz PCQDBUAGTGECEA-MHJFOBGBSA-N 2 1 344.524 3.814 50 0 EHAAMP CCCCc1nc(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)c[nH]1 ZINC000006419794 564085604 /nfs/dbraw/zinc/08/56/04/564085604.db2.gz ZEPRNNGNJWIWFA-UHFFFAOYSA-N 2 1 340.471 3.883 50 0 EHAAMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000095419483 564139878 /nfs/dbraw/zinc/13/98/78/564139878.db2.gz PQNYILCKKQWOKL-HNNXBMFYSA-N 2 1 346.421 3.648 50 0 EHAAMP CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000106216953 1044351138 /nfs/dbraw/zinc/35/11/38/1044351138.db2.gz RUGKVPGHVSQADZ-HNNXBMFYSA-N 2 1 333.863 3.815 50 0 EHAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000011937757 1129193074 /nfs/dbraw/zinc/19/30/74/1129193074.db2.gz ZMYBSFFDIIGADH-NRFANRHFSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000011937757 1129193076 /nfs/dbraw/zinc/19/30/76/1129193076.db2.gz ZMYBSFFDIIGADH-NRFANRHFSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000011937757 1129193082 /nfs/dbraw/zinc/19/30/82/1129193082.db2.gz ZMYBSFFDIIGADH-NRFANRHFSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000011937757 1129193085 /nfs/dbraw/zinc/19/30/85/1129193085.db2.gz ZMYBSFFDIIGADH-NRFANRHFSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581807145 1132369359 /nfs/dbraw/zinc/36/93/59/1132369359.db2.gz DHJISZPZVSCHBR-LJQANCHMSA-N 2 1 325.456 3.533 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581807145 1132369370 /nfs/dbraw/zinc/36/93/70/1132369370.db2.gz DHJISZPZVSCHBR-LJQANCHMSA-N 2 1 325.456 3.533 50 0 EHAAMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960080 1137483604 /nfs/dbraw/zinc/48/36/04/1137483604.db2.gz BANAVHMDNDIBNB-GOSISDBHSA-N 2 1 338.499 3.617 50 0 EHAAMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960080 1137483605 /nfs/dbraw/zinc/48/36/05/1137483605.db2.gz BANAVHMDNDIBNB-GOSISDBHSA-N 2 1 338.499 3.617 50 0 EHAAMP CCCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000216202916 241175977 /nfs/dbraw/zinc/17/59/77/241175977.db2.gz MRIJCZBOSRZRLJ-LJQANCHMSA-N 2 1 326.488 3.692 50 0 EHAAMP CCCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000216202916 241175983 /nfs/dbraw/zinc/17/59/83/241175983.db2.gz MRIJCZBOSRZRLJ-LJQANCHMSA-N 2 1 326.488 3.692 50 0 EHAAMP Cc1cccc2[nH]c([C@H]3CCC[N@@H+](Cc4cccc(CC[NH3+])c4)C3)nc21 ZINC000072158195 203176376 /nfs/dbraw/zinc/17/63/76/203176376.db2.gz HJTXRWGGEBCJQE-IBGZPJMESA-N 2 1 348.494 3.752 50 0 EHAAMP Cc1cccc2nc([C@H]3CCC[N@H+](Cc4cccc(CC[NH3+])c4)C3)[nH]c21 ZINC000072158195 203176380 /nfs/dbraw/zinc/17/63/80/203176380.db2.gz HJTXRWGGEBCJQE-IBGZPJMESA-N 2 1 348.494 3.752 50 0 EHAAMP Cc1cccc2nc([C@H]3CCC[N@@H+](Cc4cccc(CC[NH3+])c4)C3)[nH]c21 ZINC000072158195 203176381 /nfs/dbraw/zinc/17/63/81/203176381.db2.gz HJTXRWGGEBCJQE-IBGZPJMESA-N 2 1 348.494 3.752 50 0 EHAAMP C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299786096 258093188 /nfs/dbraw/zinc/09/31/88/258093188.db2.gz MTAPRRBTCXIYLO-OAQYLSRUSA-N 2 1 338.495 3.740 50 0 EHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cnn(C(C)C)c3)CC2)o1 ZINC000011878252 563651815 /nfs/dbraw/zinc/65/18/15/563651815.db2.gz CQHBFQRJRIOXMG-UHFFFAOYSA-N 2 1 344.503 3.709 50 0 EHAAMP c1ccc(COc2ccccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067841213 563962871 /nfs/dbraw/zinc/96/28/71/563962871.db2.gz GMNPJGGZFHYEAN-UHFFFAOYSA-N 2 1 336.479 3.841 50 0 EHAAMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370853 564130371 /nfs/dbraw/zinc/13/03/71/564130371.db2.gz XGEQBBXZGMUVCP-OALUTQOASA-N 2 1 345.556 3.583 50 0 EHAAMP CNc1nc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072150727 203172511 /nfs/dbraw/zinc/17/25/11/203172511.db2.gz MAKLXCHQABVMAU-SFHVURJKSA-N 2 1 344.528 3.974 50 0 EHAAMP CNc1nc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072150727 203172517 /nfs/dbraw/zinc/17/25/17/203172517.db2.gz MAKLXCHQABVMAU-SFHVURJKSA-N 2 1 344.528 3.974 50 0 EHAAMP C[N@H+](Cc1ccccn1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012449439 563892580 /nfs/dbraw/zinc/89/25/80/563892580.db2.gz OBBTWKGRUUAFAR-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP CC1(C)C[C@@H](N2CCC([NH2+]CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000097165813 563968535 /nfs/dbraw/zinc/96/85/35/563968535.db2.gz WNIWUMULLGDVDH-OAQYLSRUSA-N 2 1 341.543 3.504 50 0 EHAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091624978 563975590 /nfs/dbraw/zinc/97/55/90/563975590.db2.gz SSVUMOKJOUVBTF-OAQYLSRUSA-N 2 1 335.495 3.783 50 0 EHAAMP Cc1cnc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791952 1032660482 /nfs/dbraw/zinc/66/04/82/1032660482.db2.gz STEKGVIJRAHVIK-HXUWFJFHSA-N 2 1 332.451 3.624 50 0 EHAAMP C[N@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCn2ccnc2C1 ZINC000377860465 1131158346 /nfs/dbraw/zinc/15/83/46/1131158346.db2.gz MSLMIMDGVCWRCI-INIZCTEOSA-N 2 1 337.423 3.963 50 0 EHAAMP C[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860465 1131158352 /nfs/dbraw/zinc/15/83/52/1131158352.db2.gz MSLMIMDGVCWRCI-INIZCTEOSA-N 2 1 337.423 3.963 50 0 EHAAMP C[N@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860465 1131158355 /nfs/dbraw/zinc/15/83/55/1131158355.db2.gz MSLMIMDGVCWRCI-INIZCTEOSA-N 2 1 337.423 3.963 50 0 EHAAMP COc1cccc(C[N@@H+]2CC[C@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575547314 1131572403 /nfs/dbraw/zinc/57/24/03/1131572403.db2.gz ZCPVZVRADOKPCA-GOSISDBHSA-N 2 1 327.472 3.846 50 0 EHAAMP COc1cccc(C[N@H+]2CC[C@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575547314 1131572407 /nfs/dbraw/zinc/57/24/07/1131572407.db2.gz ZCPVZVRADOKPCA-GOSISDBHSA-N 2 1 327.472 3.846 50 0 EHAAMP COC[C@H]1CCCC[N@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215419925 241125094 /nfs/dbraw/zinc/12/50/94/241125094.db2.gz AEIZJJNBOOMKON-HXUWFJFHSA-N 2 1 346.515 3.552 50 0 EHAAMP Cc1cc(C)n(CC[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)s2)n1 ZINC000215462622 241126133 /nfs/dbraw/zinc/12/61/33/241126133.db2.gz DTCDLAUFWBKEDD-UHFFFAOYSA-N 2 1 346.544 3.679 50 0 EHAAMP Cc1cc(-n2nc(C3CC3)nc2C[NH+]2CCCCCCC2)cc[nH+]1 ZINC000065373411 563958646 /nfs/dbraw/zinc/95/86/46/563958646.db2.gz WPBBQMUHHRPOMA-UHFFFAOYSA-N 2 1 325.460 3.614 50 0 EHAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065395449 563959639 /nfs/dbraw/zinc/95/96/39/563959639.db2.gz NVJJNKJJWKYCDU-MRXNPFEDSA-N 2 1 348.450 3.606 50 0 EHAAMP CCC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095525532 563977443 /nfs/dbraw/zinc/97/74/43/563977443.db2.gz YFALZZNRTWPIDR-HXUWFJFHSA-N 2 1 348.531 3.533 50 0 EHAAMP CCC[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095525532 563977444 /nfs/dbraw/zinc/97/74/44/563977444.db2.gz YFALZZNRTWPIDR-HXUWFJFHSA-N 2 1 348.531 3.533 50 0 EHAAMP CCC[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095525532 563977445 /nfs/dbraw/zinc/97/74/45/563977445.db2.gz YFALZZNRTWPIDR-HXUWFJFHSA-N 2 1 348.531 3.533 50 0 EHAAMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccco3)CC2)cs1 ZINC000095422301 564140050 /nfs/dbraw/zinc/14/00/50/564140050.db2.gz GQLLHYWGXSQDBX-AWEZNQCLSA-N 2 1 333.501 3.861 50 0 EHAAMP COc1ccccc1[C@@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000009053075 564168679 /nfs/dbraw/zinc/16/86/79/564168679.db2.gz BRHFRTYUENEIQU-FQEVSTJZSA-N 2 1 338.495 3.901 50 0 EHAAMP COc1ccc2[nH]c(C[NH2+]CCCn3cc[nH+]c3C(C)C)c(C)c2c1 ZINC000952983295 1137485286 /nfs/dbraw/zinc/48/52/86/1137485286.db2.gz JXEHMVIDOODZDT-UHFFFAOYSA-N 2 1 340.471 3.985 50 0 EHAAMP Cc1ccc2ncccc2c1C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000215606605 241134183 /nfs/dbraw/zinc/13/41/83/241134183.db2.gz NOXJORIMXASUHD-UHFFFAOYSA-N 2 1 341.524 3.556 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000129372723 205192733 /nfs/dbraw/zinc/19/27/33/205192733.db2.gz LZTPYZUNFXVPAW-GJZGRUSLSA-N 2 1 338.377 3.786 50 0 EHAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000005346065 563527674 /nfs/dbraw/zinc/52/76/74/563527674.db2.gz DXUFEOUMAASFLB-UHFFFAOYSA-N 2 1 337.471 3.612 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801732 564086597 /nfs/dbraw/zinc/08/65/97/564086597.db2.gz UKYRPYRAXXZEAT-APWZRJJASA-N 2 1 347.466 3.505 50 0 EHAAMP COc1cccc([C@H](C[C@@H]2CCCO2)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000095419583 564139883 /nfs/dbraw/zinc/13/98/83/564139883.db2.gz WCEAMROCDLHDPD-SFTDATJTSA-N 2 1 344.499 3.522 50 0 EHAAMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968185 564143215 /nfs/dbraw/zinc/14/32/15/564143215.db2.gz CWKXMYHQGYPPCU-ZFWWWQNUSA-N 2 1 342.936 3.943 50 0 EHAAMP Clc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000071792602 203113481 /nfs/dbraw/zinc/11/34/81/203113481.db2.gz CTOLXCMGAJRCOV-UHFFFAOYSA-N 2 1 329.875 3.532 50 0 EHAAMP C[NH+](C)Cc1cncc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)n1 ZINC000067947594 563963061 /nfs/dbraw/zinc/96/30/61/563963061.db2.gz COHOMVMKLQWJKW-UHFFFAOYSA-N 2 1 346.862 3.580 50 0 EHAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cc(C)[nH+]1 ZINC000095509228 563977223 /nfs/dbraw/zinc/97/72/23/563977223.db2.gz XCSYIMUGQXIACN-SFHVURJKSA-N 2 1 347.466 3.722 50 0 EHAAMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[NH+](C)C[C@H]1C ZINC000248150558 563995357 /nfs/dbraw/zinc/99/53/57/563995357.db2.gz TWTOFPRZEXCURK-SOLBZPMBSA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248150558 563995358 /nfs/dbraw/zinc/99/53/58/563995358.db2.gz TWTOFPRZEXCURK-SOLBZPMBSA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248150558 563995359 /nfs/dbraw/zinc/99/53/59/563995359.db2.gz TWTOFPRZEXCURK-SOLBZPMBSA-N 2 1 334.504 3.645 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(N2CCC([NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000048140004 564029970 /nfs/dbraw/zinc/02/99/70/564029970.db2.gz XWJJRDWXAMUSNG-INIZCTEOSA-N 2 1 326.488 3.784 50 0 EHAAMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000225509738 564047400 /nfs/dbraw/zinc/04/74/00/564047400.db2.gz PCQDBUAGTGECEA-SOAGJPPSSA-N 2 1 344.524 3.814 50 0 EHAAMP CCn1nc(C)c(C[N@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000015069244 564053206 /nfs/dbraw/zinc/05/32/06/564053206.db2.gz KPHAEXZKMMCYLT-FQEVSTJZSA-N 2 1 346.563 3.710 50 0 EHAAMP CSc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000096402787 564147134 /nfs/dbraw/zinc/14/71/34/564147134.db2.gz JORAYOQBNHIWOB-UHFFFAOYSA-N 2 1 341.524 3.600 50 0 EHAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCNc2ccc(C)c[nH+]2)cc1 ZINC000952962729 1137483742 /nfs/dbraw/zinc/48/37/42/1137483742.db2.gz FQEYLNNMHWRIDA-UHFFFAOYSA-N 2 1 335.455 3.680 50 0 EHAAMP CC(C)Oc1cccc(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000063855649 563956143 /nfs/dbraw/zinc/95/61/43/563956143.db2.gz RTNCKZPQAYQZKK-PZJWPPBQSA-N 2 1 330.516 3.870 50 0 EHAAMP Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000097236335 563970682 /nfs/dbraw/zinc/97/06/82/563970682.db2.gz SYUCJALZQFKSLM-DILOTOHQSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000097236335 563970683 /nfs/dbraw/zinc/97/06/83/563970683.db2.gz SYUCJALZQFKSLM-DILOTOHQSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000097236335 563970684 /nfs/dbraw/zinc/97/06/84/563970684.db2.gz SYUCJALZQFKSLM-DILOTOHQSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000534653374 564061395 /nfs/dbraw/zinc/06/13/95/564061395.db2.gz GZMDVXMBADCMII-HNNXBMFYSA-N 2 1 339.487 3.686 50 0 EHAAMP C[C@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000093089264 564137198 /nfs/dbraw/zinc/13/71/98/564137198.db2.gz JPPJKJAFPAYELT-CQSZACIVSA-N 2 1 339.321 3.826 50 0 EHAAMP Cc1[nH+]ccn1Cc1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000096476579 564148413 /nfs/dbraw/zinc/14/84/13/564148413.db2.gz PIVNZZVGJUZJSP-INIZCTEOSA-N 2 1 337.471 3.868 50 0 EHAAMP C[N@H+](C[C@H]1CC[C@@H](Cc2ccc3occc3c2)O1)C1CC[NH+](C)CC1 ZINC000067872799 564167167 /nfs/dbraw/zinc/16/71/67/564167167.db2.gz LRXGETKDHUKSIK-VQTJNVASSA-N 2 1 342.483 3.549 50 0 EHAAMP C[N@@H+](C[C@H]1CC[C@@H](Cc2ccc3occc3c2)O1)C1CC[NH+](C)CC1 ZINC000067872799 564167168 /nfs/dbraw/zinc/16/71/68/564167168.db2.gz LRXGETKDHUKSIK-VQTJNVASSA-N 2 1 342.483 3.549 50 0 EHAAMP COc1ccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1C ZINC000575549506 1131572190 /nfs/dbraw/zinc/57/21/90/1131572190.db2.gz MTGVOOKOKSOWTF-GOSISDBHSA-N 2 1 325.456 3.833 50 0 EHAAMP COc1ccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1C ZINC000575549506 1131572193 /nfs/dbraw/zinc/57/21/93/1131572193.db2.gz MTGVOOKOKSOWTF-GOSISDBHSA-N 2 1 325.456 3.833 50 0 EHAAMP CC[N@H+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CC[NH+](CC)C1 ZINC000952973370 1137484438 /nfs/dbraw/zinc/48/44/38/1137484438.db2.gz IQMPUASEQPOUKJ-CQSZACIVSA-N 2 1 347.890 3.758 50 0 EHAAMP CC[NH+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CC[N@H+](CC)C1 ZINC000952973370 1137484440 /nfs/dbraw/zinc/48/44/40/1137484440.db2.gz IQMPUASEQPOUKJ-CQSZACIVSA-N 2 1 347.890 3.758 50 0 EHAAMP CC[NH+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CC[N@@H+](CC)C1 ZINC000952973370 1137484442 /nfs/dbraw/zinc/48/44/42/1137484442.db2.gz IQMPUASEQPOUKJ-CQSZACIVSA-N 2 1 347.890 3.758 50 0 EHAAMP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@@H]1CCOC(C)(C)C1 ZINC000215081001 241104367 /nfs/dbraw/zinc/10/43/67/241104367.db2.gz JDCICIYKVMCOKG-GOSISDBHSA-N 2 1 330.516 3.919 50 0 EHAAMP CCc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000077537581 203394488 /nfs/dbraw/zinc/39/44/88/203394488.db2.gz BVDGIURJYNXOGG-HNNXBMFYSA-N 2 1 349.910 3.586 50 0 EHAAMP CCc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000077537581 203394491 /nfs/dbraw/zinc/39/44/91/203394491.db2.gz BVDGIURJYNXOGG-HNNXBMFYSA-N 2 1 349.910 3.586 50 0 EHAAMP COCC[N@@H+](CC(C)C)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012459632 564053673 /nfs/dbraw/zinc/05/36/73/564053673.db2.gz YVXYOQIZPGPKLB-UHFFFAOYSA-N 2 1 336.495 3.642 50 0 EHAAMP CCCN(C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)C1CC[NH2+]CC1 ZINC000236837573 564117709 /nfs/dbraw/zinc/11/77/09/564117709.db2.gz SPEVGWCRQZUGEL-UHFFFAOYSA-N 2 1 345.531 3.521 50 0 EHAAMP CCc1nc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000253419515 564130979 /nfs/dbraw/zinc/13/09/79/564130979.db2.gz ZNXHHSLFCKEMEM-SFHVURJKSA-N 2 1 340.471 3.605 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546638 1131572510 /nfs/dbraw/zinc/57/25/10/1131572510.db2.gz RYGDNQQALKNSPU-FQEVSTJZSA-N 2 1 348.494 3.643 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546638 1131572515 /nfs/dbraw/zinc/57/25/15/1131572515.db2.gz RYGDNQQALKNSPU-FQEVSTJZSA-N 2 1 348.494 3.643 50 0 EHAAMP c1cc(C[NH+]2CCCC2)cc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000072421884 216210505 /nfs/dbraw/zinc/21/05/05/216210505.db2.gz MOXACVIIJGCIAB-PZJWPPBQSA-N 2 1 328.500 3.926 50 0 EHAAMP COC[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000215419881 241126555 /nfs/dbraw/zinc/12/65/55/241126555.db2.gz AEIZJJNBOOMKON-FQEVSTJZSA-N 2 1 346.515 3.552 50 0 EHAAMP C[N@H+](Cc1cccnc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012449198 211387627 /nfs/dbraw/zinc/38/76/27/211387627.db2.gz CBVXSYCIIZWRBB-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP CC/C=C(\C)C[NH+]1CCC(n2cc(C[N@H+]3CCCC3(C)C)nn2)CC1 ZINC000048115515 563930064 /nfs/dbraw/zinc/93/00/64/563930064.db2.gz QZOOGRDQLXDUSD-REZTVBANSA-N 2 1 345.535 3.646 50 0 EHAAMP Cc1cc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)oc2cc1C ZINC000096453982 563953781 /nfs/dbraw/zinc/95/37/81/563953781.db2.gz BRHWAGYLNHUOKE-KRWDZBQOSA-N 2 1 342.483 3.640 50 0 EHAAMP C[C@H](C1CC[NH+](Cc2cc(CN3CCCCC3)cs2)CC1)[NH+](C)C ZINC000077300528 563968842 /nfs/dbraw/zinc/96/88/42/563968842.db2.gz UVDHMQSCSUGYKM-QGZVFWFLSA-N 2 1 349.588 3.896 50 0 EHAAMP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2nonc2c1 ZINC000823719854 1131079675 /nfs/dbraw/zinc/07/96/75/1131079675.db2.gz REFYMJQLLXZAST-UHFFFAOYSA-N 2 1 342.468 3.512 50 0 EHAAMP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2nonc2c1 ZINC000823719854 1131079681 /nfs/dbraw/zinc/07/96/81/1131079681.db2.gz REFYMJQLLXZAST-UHFFFAOYSA-N 2 1 342.468 3.512 50 0 EHAAMP CCOc1ccccc1C[N@@H+]1CC[C@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000575548850 1131572311 /nfs/dbraw/zinc/57/23/11/1131572311.db2.gz KHLPHTYMZLBJFQ-SFHVURJKSA-N 2 1 325.456 3.915 50 0 EHAAMP CCOc1ccccc1C[N@H+]1CC[C@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000575548850 1131572315 /nfs/dbraw/zinc/57/23/15/1131572315.db2.gz KHLPHTYMZLBJFQ-SFHVURJKSA-N 2 1 325.456 3.915 50 0 EHAAMP Cc1ccc[nH+]c1N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012198934 211318617 /nfs/dbraw/zinc/31/86/17/211318617.db2.gz QUFRQGMVVLRNAL-FQEVSTJZSA-N 2 1 336.483 3.524 50 0 EHAAMP c1ccc2c(c1)CC[N@H+](Cc1ccc(OC[C@H]3CCC[NH2+]C3)cc1)C2 ZINC000299787711 258094301 /nfs/dbraw/zinc/09/43/01/258094301.db2.gz ZWQZQEDNLUOBCG-IBGZPJMESA-N 2 1 336.479 3.623 50 0 EHAAMP C[NH+](C)CCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008373870 563627918 /nfs/dbraw/zinc/62/79/18/563627918.db2.gz QKWJWSYVYALWGL-UHFFFAOYSA-N 2 1 332.875 3.960 50 0 EHAAMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232115 563970743 /nfs/dbraw/zinc/97/07/43/563970743.db2.gz XGEQBBXZGMUVCP-RBUKOAKNSA-N 2 1 345.556 3.583 50 0 EHAAMP CC[N@H+](CCO)CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001530654 563391306 /nfs/dbraw/zinc/39/13/06/563391306.db2.gz XXSMGPRMXLTPCZ-AWEZNQCLSA-N 2 1 335.879 3.783 50 0 fda EHAAMP CC[N@@H+](CCO)CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001530654 563391308 /nfs/dbraw/zinc/39/13/08/563391308.db2.gz XXSMGPRMXLTPCZ-AWEZNQCLSA-N 2 1 335.879 3.783 50 0 fda EHAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967536 564034070 /nfs/dbraw/zinc/03/40/70/564034070.db2.gz VVRJVEBKDAHHAI-XHSVMWQWSA-N 2 1 338.442 3.984 50 0 EHAAMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370272 564130340 /nfs/dbraw/zinc/13/03/40/564130340.db2.gz OMRORPZRNPOTMS-MOPGFXCFSA-N 2 1 345.556 3.583 50 0 EHAAMP c1cn(CCOc2ccccc2C[N@H+]2CCC3(CCCC3)C2)cn1 ZINC000670438889 564157545 /nfs/dbraw/zinc/15/75/45/564157545.db2.gz WBZYQMNJOGVNLX-UHFFFAOYSA-N 2 1 325.456 3.728 50 0 EHAAMP COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000229970321 242219597 /nfs/dbraw/zinc/21/95/97/242219597.db2.gz VKEKHRYWWSAWLS-FRQCXROJSA-N 2 1 327.472 3.714 50 0 EHAAMP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000229970321 242219602 /nfs/dbraw/zinc/21/96/02/242219602.db2.gz VKEKHRYWWSAWLS-FRQCXROJSA-N 2 1 327.472 3.714 50 0 EHAAMP C[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012308513 211341951 /nfs/dbraw/zinc/34/19/51/211341951.db2.gz GULZGAYLUZLDOY-LJQANCHMSA-N 2 1 341.474 3.607 50 0 EHAAMP C[N@H+](Cc1ccncc1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000012308513 211341955 /nfs/dbraw/zinc/34/19/55/211341955.db2.gz GULZGAYLUZLDOY-LJQANCHMSA-N 2 1 341.474 3.607 50 0 EHAAMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012308513 211341956 /nfs/dbraw/zinc/34/19/56/211341956.db2.gz GULZGAYLUZLDOY-LJQANCHMSA-N 2 1 341.474 3.607 50 0 EHAAMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012308513 211341963 /nfs/dbraw/zinc/34/19/63/211341963.db2.gz GULZGAYLUZLDOY-LJQANCHMSA-N 2 1 341.474 3.607 50 0 EHAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816817 211249334 /nfs/dbraw/zinc/24/93/34/211249334.db2.gz UEDIXSVRMVPHCD-JENJNIGESA-N 2 1 328.500 3.524 50 0 EHAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816817 211249340 /nfs/dbraw/zinc/24/93/40/211249340.db2.gz UEDIXSVRMVPHCD-JENJNIGESA-N 2 1 328.500 3.524 50 0 EHAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816817 211249344 /nfs/dbraw/zinc/24/93/44/211249344.db2.gz UEDIXSVRMVPHCD-JENJNIGESA-N 2 1 328.500 3.524 50 0 EHAAMP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000092081315 218117098 /nfs/dbraw/zinc/11/70/98/218117098.db2.gz XSOOLSQOCWPWHD-SFHVURJKSA-N 2 1 341.524 3.845 50 0 EHAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000092081315 218117100 /nfs/dbraw/zinc/11/71/00/218117100.db2.gz XSOOLSQOCWPWHD-SFHVURJKSA-N 2 1 341.524 3.845 50 0 EHAAMP c1ccc2c(c1)CC[N@H+](Cc1ccc(OC[C@@H]3CCC[NH2+]C3)cc1)C2 ZINC000299787712 258094318 /nfs/dbraw/zinc/09/43/18/258094318.db2.gz ZWQZQEDNLUOBCG-LJQANCHMSA-N 2 1 336.479 3.623 50 0 EHAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000089643229 564112866 /nfs/dbraw/zinc/11/28/66/564112866.db2.gz CKAWCLHJSPMERY-UHFFFAOYSA-N 2 1 327.472 3.742 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788073 1032653210 /nfs/dbraw/zinc/65/32/10/1032653210.db2.gz TWNHZGPOBJHDGS-INIZCTEOSA-N 2 1 332.517 3.992 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788073 1032653219 /nfs/dbraw/zinc/65/32/19/1032653219.db2.gz TWNHZGPOBJHDGS-INIZCTEOSA-N 2 1 332.517 3.992 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cc(C[NH+]2CCCC2)cs1 ZINC000952978432 1137484833 /nfs/dbraw/zinc/48/48/33/1137484833.db2.gz CGVRGEXIVMYDHH-UHFFFAOYSA-N 3 1 346.544 3.844 50 0 EHAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816818 211250202 /nfs/dbraw/zinc/25/02/02/211250202.db2.gz UEDIXSVRMVPHCD-DQYQWZCESA-N 2 1 328.500 3.524 50 0 EHAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816818 211250204 /nfs/dbraw/zinc/25/02/04/211250204.db2.gz UEDIXSVRMVPHCD-DQYQWZCESA-N 2 1 328.500 3.524 50 0 EHAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C/C(C)=C/c3ccccc3)C2)C1 ZINC000011816818 211250206 /nfs/dbraw/zinc/25/02/06/211250206.db2.gz UEDIXSVRMVPHCD-DQYQWZCESA-N 2 1 328.500 3.524 50 0 EHAAMP CC[N@H+](CCO)CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001530652 563391350 /nfs/dbraw/zinc/39/13/50/563391350.db2.gz XXSMGPRMXLTPCZ-CQSZACIVSA-N 2 1 335.879 3.783 50 0 fda EHAAMP CC[N@@H+](CCO)CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001530652 563391352 /nfs/dbraw/zinc/39/13/52/563391352.db2.gz XXSMGPRMXLTPCZ-CQSZACIVSA-N 2 1 335.879 3.783 50 0 fda EHAAMP C[NH+]1CCC([NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000013165270 564136126 /nfs/dbraw/zinc/13/61/26/564136126.db2.gz ADALDZPUHJXOAI-FQEVSTJZSA-N 2 1 333.479 3.984 50 0 EHAAMP CC(C)[N@@H+](C)Cc1ccccc1OC[C@@H](O)C[NH+](C)C1CCCCC1 ZINC000012596517 1129440731 /nfs/dbraw/zinc/44/07/31/1129440731.db2.gz NLRXZMSCXFWLOU-FQEVSTJZSA-N 2 1 348.531 3.531 50 0 EHAAMP CC(C)[NH+](C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012596517 1129440733 /nfs/dbraw/zinc/44/07/33/1129440733.db2.gz NLRXZMSCXFWLOU-FQEVSTJZSA-N 2 1 348.531 3.531 50 0 EHAAMP CC(C)[NH+](C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596517 1129440736 /nfs/dbraw/zinc/44/07/36/1129440736.db2.gz NLRXZMSCXFWLOU-FQEVSTJZSA-N 2 1 348.531 3.531 50 0 EHAAMP Cc1ccccc1N1CCC([NH2+]CCCn2cc[nH+]c2C(C)C)CC1 ZINC000952976425 1137484462 /nfs/dbraw/zinc/48/44/62/1137484462.db2.gz WIVSEHKDWYUISZ-UHFFFAOYSA-N 2 1 340.515 3.964 50 0 EHAAMP CC(C)[N@@H+]1CCC[C@H](C[NH+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154807 216043374 /nfs/dbraw/zinc/04/33/74/216043374.db2.gz YEFVLFJXUHFRAA-MRXNPFEDSA-N 2 1 326.431 3.840 50 0 EHAAMP CC(C)[N@H+]1CCC[C@H](C[NH+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154807 216043377 /nfs/dbraw/zinc/04/33/77/216043377.db2.gz YEFVLFJXUHFRAA-MRXNPFEDSA-N 2 1 326.431 3.840 50 0 EHAAMP CC(C)[NH+]1CCC[C@H](C[N@H+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154807 216043380 /nfs/dbraw/zinc/04/33/80/216043380.db2.gz YEFVLFJXUHFRAA-MRXNPFEDSA-N 2 1 326.431 3.840 50 0 EHAAMP CC(C)[NH+]1CCC[C@H](C[N@@H+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154807 216043383 /nfs/dbraw/zinc/04/33/83/216043383.db2.gz YEFVLFJXUHFRAA-MRXNPFEDSA-N 2 1 326.431 3.840 50 0 EHAAMP COc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1C[NH+]1CCCC1 ZINC000215178502 241111867 /nfs/dbraw/zinc/11/18/67/241111867.db2.gz RAYXAAPSIYSZHC-QGZVFWFLSA-N 2 1 339.483 3.879 50 0 EHAAMP Cc1cc(CN2CC[N@@H+](C)[C@H](C)C2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000216140590 241167637 /nfs/dbraw/zinc/16/76/37/241167637.db2.gz ZMIRHZXAXZAZEX-LJQANCHMSA-N 2 1 343.559 3.671 50 0 EHAAMP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC000216140590 241167642 /nfs/dbraw/zinc/16/76/42/241167642.db2.gz ZMIRHZXAXZAZEX-LJQANCHMSA-N 2 1 343.559 3.671 50 0 EHAAMP Cc1cc(C[NH+]2CCC(C)CC2)c(C)c(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC000216140590 241167648 /nfs/dbraw/zinc/16/76/48/241167648.db2.gz ZMIRHZXAXZAZEX-LJQANCHMSA-N 2 1 343.559 3.671 50 0 EHAAMP c1ccc(C[NH+]2CCN(CC[N@H+]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000244719126 243070112 /nfs/dbraw/zinc/07/01/12/243070112.db2.gz LXLPRETVLCRJAS-QHCPKHFHSA-N 2 1 349.522 3.641 50 0 EHAAMP C[N@H+](Cc1ccncc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000011820456 211251875 /nfs/dbraw/zinc/25/18/75/211251875.db2.gz USMAPHIDLQNQEU-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP CC[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011818324 211252813 /nfs/dbraw/zinc/25/28/13/211252813.db2.gz MHAHXVFDWNNWKZ-OAQYLSRUSA-N 2 1 330.516 3.708 50 0 EHAAMP C[C@@H](C[NH3+])Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000299760771 258078157 /nfs/dbraw/zinc/07/81/57/258078157.db2.gz XEBWPZVDNGXMAL-INIZCTEOSA-N 2 1 335.451 3.593 50 0 EHAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC000012583146 563663804 /nfs/dbraw/zinc/66/38/04/563663804.db2.gz PCPSYXWINBLCQY-UHFFFAOYSA-N 2 1 342.483 3.675 50 0 EHAAMP COCCn1ccnc1[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000091620829 563975539 /nfs/dbraw/zinc/97/55/39/563975539.db2.gz RCHRVJQRBDPCAV-CYBMUJFWSA-N 2 1 339.892 3.624 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000020119312 564074991 /nfs/dbraw/zinc/07/49/91/564074991.db2.gz YHNKFBGZWZSVCW-FUHWJXTLSA-N 2 1 337.471 3.514 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000020119312 564074992 /nfs/dbraw/zinc/07/49/92/564074992.db2.gz YHNKFBGZWZSVCW-FUHWJXTLSA-N 2 1 337.471 3.514 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000221762131 564084284 /nfs/dbraw/zinc/08/42/84/564084284.db2.gz SYUCJALZQFKSLM-WEFJBSGNSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000221762131 564084285 /nfs/dbraw/zinc/08/42/85/564084285.db2.gz SYUCJALZQFKSLM-WEFJBSGNSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(F)cc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000089735865 564113490 /nfs/dbraw/zinc/11/34/90/564113490.db2.gz ILEKGUCPDLOFSA-CQSZACIVSA-N 2 1 339.414 3.663 50 0 EHAAMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968186 564143224 /nfs/dbraw/zinc/14/32/24/564143224.db2.gz CWKXMYHQGYPPCU-DZGCQCFKSA-N 2 1 342.936 3.943 50 0 EHAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C1CCC1 ZINC000012468286 211389621 /nfs/dbraw/zinc/38/96/21/211389621.db2.gz UBCYDJKFSHREMT-UHFFFAOYSA-N 2 1 334.479 3.539 50 0 EHAAMP C[NH2+]CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000057263118 563935461 /nfs/dbraw/zinc/93/54/61/563935461.db2.gz XDUYIWDVXJTWSW-UHFFFAOYSA-N 2 1 348.874 3.627 50 0 EHAAMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000225748369 564150453 /nfs/dbraw/zinc/15/04/53/564150453.db2.gz ANLICJWSDXUMQE-AOIWGVFYSA-N 2 1 343.515 3.587 50 0 EHAAMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000225748369 564150454 /nfs/dbraw/zinc/15/04/54/564150454.db2.gz ANLICJWSDXUMQE-AOIWGVFYSA-N 2 1 343.515 3.587 50 0 EHAAMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000225748369 564150455 /nfs/dbraw/zinc/15/04/55/564150455.db2.gz ANLICJWSDXUMQE-AOIWGVFYSA-N 2 1 343.515 3.587 50 0 EHAAMP c1sc(C[NH+]2CC(c3ccncc3)C2)cc1C[NH+]1CCCCC1 ZINC000820414214 1130870273 /nfs/dbraw/zinc/87/02/73/1130870273.db2.gz UGIJJPGQDRFTFQ-UHFFFAOYSA-N 2 1 327.497 3.728 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC000952978952 1137484776 /nfs/dbraw/zinc/48/47/76/1137484776.db2.gz CKZHQQSWCMBKSF-MRXNPFEDSA-N 2 1 343.471 3.594 50 0 EHAAMP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077454165 563969701 /nfs/dbraw/zinc/96/97/01/563969701.db2.gz CGQJZNDDLJLMSQ-LJQANCHMSA-N 2 1 338.430 3.540 50 0 EHAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077454165 563969702 /nfs/dbraw/zinc/96/97/02/563969702.db2.gz CGQJZNDDLJLMSQ-LJQANCHMSA-N 2 1 338.430 3.540 50 0 EHAAMP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069520429 564170134 /nfs/dbraw/zinc/17/01/34/564170134.db2.gz HFBFKKGHVPMYOT-MRXNPFEDSA-N 2 1 340.471 3.605 50 0 EHAAMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2SC)CC1 ZINC000069738775 564171825 /nfs/dbraw/zinc/17/18/25/564171825.db2.gz CYKJNKNLEYVEJW-UHFFFAOYSA-N 2 1 349.544 3.543 50 0 EHAAMP CCCn1c(C)c[nH+]c1C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000581806729 1132369561 /nfs/dbraw/zinc/36/95/61/1132369561.db2.gz WJMOBBIDYILLPQ-OAHLLOKOSA-N 2 1 333.426 3.944 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952968216 1137485047 /nfs/dbraw/zinc/48/50/47/1137485047.db2.gz KQLAWRLAZBERGU-UHFFFAOYSA-N 2 1 341.434 3.511 50 0 EHAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000952982698 1137485282 /nfs/dbraw/zinc/48/52/82/1137485282.db2.gz QQHICNYPTZASRN-UHFFFAOYSA-N 2 1 348.450 3.554 50 0 EHAAMP Cc1cc(N2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)CC2)cc[nH+]1 ZINC000072174622 216065205 /nfs/dbraw/zinc/06/52/05/216065205.db2.gz QYBONEAATTVXLQ-UHFFFAOYSA-N 2 1 348.450 3.757 50 0 EHAAMP c1coc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386703 211365673 /nfs/dbraw/zinc/36/56/73/211365673.db2.gz BTXGYOZPEIYODY-NRFANRHFSA-N 2 1 346.515 3.915 50 0 EHAAMP Cc1nnc([C@@H](C)[N@H+](C)CC2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000095351045 218284644 /nfs/dbraw/zinc/28/46/44/218284644.db2.gz IFNMTJOUHBFYFN-MRXNPFEDSA-N 2 1 342.487 3.673 50 0 EHAAMP Cc1nnc([C@@H](C)[N@@H+](C)CC2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000095351045 218284645 /nfs/dbraw/zinc/28/46/45/218284645.db2.gz IFNMTJOUHBFYFN-MRXNPFEDSA-N 2 1 342.487 3.673 50 0 EHAAMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccn1 ZINC000090524799 564084621 /nfs/dbraw/zinc/08/46/21/564084621.db2.gz JKXPPPBNQXGMSF-ACRUOGEOSA-N 2 1 345.531 3.526 50 0 EHAAMP Cc1[nH+]ccn1Cc1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000076396624 564116549 /nfs/dbraw/zinc/11/65/49/564116549.db2.gz LBSSBWPQZRBVFW-UHFFFAOYSA-N 2 1 345.368 3.947 50 0 EHAAMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)CCO4)CC2)[nH+]1 ZINC000178418346 1042112359 /nfs/dbraw/zinc/11/23/59/1042112359.db2.gz OEHRTOUMWJFOPQ-INIZCTEOSA-N 2 1 337.467 3.645 50 0 EHAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000823557467 1131073915 /nfs/dbraw/zinc/07/39/15/1131073915.db2.gz QVUHMBRHUJCRCR-ZDUSSCGKSA-N 2 1 345.878 3.586 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215440005 241125853 /nfs/dbraw/zinc/12/58/53/241125853.db2.gz KMKGESLSCHCURV-MRXNPFEDSA-N 2 1 333.501 3.788 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215440005 241125860 /nfs/dbraw/zinc/12/58/60/241125860.db2.gz KMKGESLSCHCURV-MRXNPFEDSA-N 2 1 333.501 3.788 50 0 EHAAMP COc1cccc([C@@H](C[C@@H]2CCCO2)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000095419582 218359603 /nfs/dbraw/zinc/35/96/03/218359603.db2.gz WCEAMROCDLHDPD-LEWJYISDSA-N 2 1 344.499 3.522 50 0 EHAAMP Fc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757653 564012927 /nfs/dbraw/zinc/01/29/27/564012927.db2.gz LQERKHMCNKOQQA-UHFFFAOYSA-N 2 1 326.459 3.665 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)n1CC1CC1 ZINC000169787417 1032649485 /nfs/dbraw/zinc/64/94/85/1032649485.db2.gz QQYNOSOTYKFBFM-MRXNPFEDSA-N 2 1 345.437 3.944 50 0 EHAAMP COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CC[NH+](C2CCCC2)CC1 ZINC000257191233 1038525875 /nfs/dbraw/zinc/52/58/75/1038525875.db2.gz PNRWROQTQWRDMG-UHFFFAOYSA-N 2 1 339.483 3.556 50 0 EHAAMP CC[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257196598 1128149209 /nfs/dbraw/zinc/14/92/09/1128149209.db2.gz YNHQCRDCSDHNRX-FQEVSTJZSA-N 2 1 338.499 3.562 50 0 EHAAMP CC[N@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257196598 1128149213 /nfs/dbraw/zinc/14/92/13/1128149213.db2.gz YNHQCRDCSDHNRX-FQEVSTJZSA-N 2 1 338.499 3.562 50 0 EHAAMP CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166422 216055976 /nfs/dbraw/zinc/05/59/76/216055976.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 2 1 349.588 3.896 50 0 EHAAMP CC(C)[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166422 216055978 /nfs/dbraw/zinc/05/59/78/216055978.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 3 1 349.588 3.896 50 0 EHAAMP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166422 216055980 /nfs/dbraw/zinc/05/59/80/216055980.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 3 1 349.588 3.896 50 0 EHAAMP CC(C)[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166422 216055982 /nfs/dbraw/zinc/05/59/82/216055982.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 3 1 349.588 3.896 50 0 EHAAMP CC(C)[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166422 216055985 /nfs/dbraw/zinc/05/59/85/216055985.db2.gz QCPDVWMBFPVMIP-SFHVURJKSA-N 3 1 349.588 3.896 50 0 EHAAMP Cc1[nH+]ccn1Cc1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000096476580 564148496 /nfs/dbraw/zinc/14/84/96/564148496.db2.gz PIVNZZVGJUZJSP-MRXNPFEDSA-N 2 1 337.471 3.868 50 0 EHAAMP c1cn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)cn1 ZINC000058165459 564157886 /nfs/dbraw/zinc/15/78/86/564157886.db2.gz UNOWLLSYENJEQR-UHFFFAOYSA-N 2 1 346.478 3.627 50 0 EHAAMP c1coc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012386704 211365177 /nfs/dbraw/zinc/36/51/77/211365177.db2.gz BTXGYOZPEIYODY-OAQYLSRUSA-N 2 1 346.515 3.915 50 0 EHAAMP CC[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011818323 211252657 /nfs/dbraw/zinc/25/26/57/211252657.db2.gz MHAHXVFDWNNWKZ-NRFANRHFSA-N 2 1 330.516 3.708 50 0 EHAAMP C[N@H+](Cc1ccncc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000015073771 563775967 /nfs/dbraw/zinc/77/59/67/563775967.db2.gz NNPFGBSBCSWLFW-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232113 563970764 /nfs/dbraw/zinc/97/07/64/563970764.db2.gz XGEQBBXZGMUVCP-RTBURBONSA-N 2 1 345.556 3.583 50 0 EHAAMP c1ccc(NC[C@@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)nc1 ZINC000065466342 563998204 /nfs/dbraw/zinc/99/82/04/563998204.db2.gz ZUSWUSLUCODNNH-INIZCTEOSA-N 2 1 336.439 3.589 50 0 EHAAMP COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000107532799 564027005 /nfs/dbraw/zinc/02/70/05/564027005.db2.gz VKEKHRYWWSAWLS-GPMSIDNRSA-N 2 1 327.472 3.714 50 0 EHAAMP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000107532799 564027006 /nfs/dbraw/zinc/02/70/06/564027006.db2.gz VKEKHRYWWSAWLS-GPMSIDNRSA-N 2 1 327.472 3.714 50 0 EHAAMP CC(C)C[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2CC(C)C)CC1 ZINC000257196857 1038563085 /nfs/dbraw/zinc/56/30/85/1038563085.db2.gz YZPNJKRPHNPQGF-IBGZPJMESA-N 2 1 332.536 3.654 50 0 EHAAMP CC(C)C[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2CC(C)C)CC1 ZINC000257196857 1038563087 /nfs/dbraw/zinc/56/30/87/1038563087.db2.gz YZPNJKRPHNPQGF-IBGZPJMESA-N 2 1 332.536 3.654 50 0 EHAAMP COc1ccc(CC[N@@H+](CC2CC[NH+](C)CC2)CC(C)(C)C)cc1 ZINC000011769892 1128972054 /nfs/dbraw/zinc/97/20/54/1128972054.db2.gz JVAWBOSFRVDWIB-UHFFFAOYSA-N 2 1 332.532 3.928 50 0 EHAAMP Cc1ccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CCOCC3)C2)s1 ZINC000575548787 1131572437 /nfs/dbraw/zinc/57/24/37/1131572437.db2.gz JSBVSEFSENOWHM-KRWDZBQOSA-N 2 1 345.512 3.902 50 0 EHAAMP Cc1ccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CCOCC3)C2)s1 ZINC000575548787 1131572441 /nfs/dbraw/zinc/57/24/41/1131572441.db2.gz JSBVSEFSENOWHM-KRWDZBQOSA-N 2 1 345.512 3.902 50 0 EHAAMP C[C@H](c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1)[NH+](C)C ZINC000952968655 1137485045 /nfs/dbraw/zinc/48/50/45/1137485045.db2.gz FRMYJMSMPZNSMJ-GOSISDBHSA-N 2 1 329.532 3.760 50 0 EHAAMP Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cccc(CC[NH3+])c4)C3)nc21 ZINC000072158194 216048366 /nfs/dbraw/zinc/04/83/66/216048366.db2.gz HJTXRWGGEBCJQE-LJQANCHMSA-N 2 1 348.494 3.752 50 0 EHAAMP Cc1cccc2nc([C@@H]3CCC[N@H+](Cc4cccc(CC[NH3+])c4)C3)[nH]c21 ZINC000072158194 216048368 /nfs/dbraw/zinc/04/83/68/216048368.db2.gz HJTXRWGGEBCJQE-LJQANCHMSA-N 2 1 348.494 3.752 50 0 EHAAMP Cc1cccc2nc([C@@H]3CCC[N@@H+](Cc4cccc(CC[NH3+])c4)C3)[nH]c21 ZINC000072158194 216048370 /nfs/dbraw/zinc/04/83/70/216048370.db2.gz HJTXRWGGEBCJQE-LJQANCHMSA-N 2 1 348.494 3.752 50 0 EHAAMP CSc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215283358 241117053 /nfs/dbraw/zinc/11/70/53/241117053.db2.gz WERKNMBVGHRKQE-SFHVURJKSA-N 2 1 342.512 3.597 50 0 EHAAMP CSc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215283358 241117057 /nfs/dbraw/zinc/11/70/57/241117057.db2.gz WERKNMBVGHRKQE-SFHVURJKSA-N 2 1 342.512 3.597 50 0 EHAAMP CSc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215283403 241118548 /nfs/dbraw/zinc/11/85/48/241118548.db2.gz WERKNMBVGHRKQE-GOSISDBHSA-N 2 1 342.512 3.597 50 0 EHAAMP CSc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215283403 241118554 /nfs/dbraw/zinc/11/85/54/241118554.db2.gz WERKNMBVGHRKQE-GOSISDBHSA-N 2 1 342.512 3.597 50 0 EHAAMP Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000216235581 241174603 /nfs/dbraw/zinc/17/46/03/241174603.db2.gz QADNQTNQRYRWPC-OAHLLOKOSA-N 2 1 332.517 3.877 50 0 EHAAMP Cc1n[nH]c(C)c1[C@@H](C)[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000216235581 241174605 /nfs/dbraw/zinc/17/46/05/241174605.db2.gz QADNQTNQRYRWPC-OAHLLOKOSA-N 2 1 332.517 3.877 50 0 EHAAMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccs1 ZINC000095420846 218361508 /nfs/dbraw/zinc/36/15/08/218361508.db2.gz XJZVPKOTIVVMQM-CVEARBPZSA-N 2 1 330.497 3.820 50 0 EHAAMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccs1 ZINC000095420846 218361510 /nfs/dbraw/zinc/36/15/10/218361510.db2.gz XJZVPKOTIVVMQM-CVEARBPZSA-N 2 1 330.497 3.820 50 0 EHAAMP CC[N@@H+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[NH+](CC)C2)CC1 ZINC000032523796 563913889 /nfs/dbraw/zinc/91/38/89/563913889.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 2 1 343.559 3.705 50 0 EHAAMP CC[NH+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000032523796 563913891 /nfs/dbraw/zinc/91/38/91/563913891.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 2 1 343.559 3.705 50 0 EHAAMP CC[NH+](Cc1ccccc1)C1CCN(C[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000032523796 563913893 /nfs/dbraw/zinc/91/38/93/563913893.db2.gz FRSCUQNEBUANQX-OAQYLSRUSA-N 2 1 343.559 3.705 50 0 EHAAMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000426526955 564093980 /nfs/dbraw/zinc/09/39/80/564093980.db2.gz QSMVPRFZAMPBEG-QAPCUYQASA-N 2 1 332.451 3.608 50 0 EHAAMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000426526955 564093981 /nfs/dbraw/zinc/09/39/81/564093981.db2.gz QSMVPRFZAMPBEG-QAPCUYQASA-N 2 1 332.451 3.608 50 0 EHAAMP Cc1cc(C[NH+]2CCSCC2)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370852 564130366 /nfs/dbraw/zinc/13/03/66/564130366.db2.gz XGEQBBXZGMUVCP-MOPGFXCFSA-N 2 1 345.556 3.583 50 0 EHAAMP CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 ZINC000020538052 1018179779 /nfs/dbraw/zinc/17/97/79/1018179779.db2.gz JCLBMAXCKBKDPA-APWZRJJASA-N 2 1 344.528 3.634 50 0 EHAAMP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3nsnc3c2)C1 ZINC000020538052 1018179789 /nfs/dbraw/zinc/17/97/89/1018179789.db2.gz JCLBMAXCKBKDPA-APWZRJJASA-N 2 1 344.528 3.634 50 0 EHAAMP CC(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc3nsnc3c2)C1 ZINC000020538052 1018179794 /nfs/dbraw/zinc/17/97/94/1018179794.db2.gz JCLBMAXCKBKDPA-APWZRJJASA-N 2 1 344.528 3.634 50 0 EHAAMP CC(C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3nsnc3c2)C1 ZINC000020538052 1018179800 /nfs/dbraw/zinc/17/98/00/1018179800.db2.gz JCLBMAXCKBKDPA-APWZRJJASA-N 2 1 344.528 3.634 50 0 EHAAMP CC(C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3nsnc3c2)C1 ZINC000020538052 1018179807 /nfs/dbraw/zinc/17/98/07/1018179807.db2.gz JCLBMAXCKBKDPA-APWZRJJASA-N 2 1 344.528 3.634 50 0 EHAAMP CC(C)[N@@H+](C)Cc1ccccc1OC[C@H](O)C[NH+](C)C1CCCCC1 ZINC000012596521 1129441063 /nfs/dbraw/zinc/44/10/63/1129441063.db2.gz NLRXZMSCXFWLOU-HXUWFJFHSA-N 2 1 348.531 3.531 50 0 EHAAMP CC(C)[NH+](C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012596521 1129441064 /nfs/dbraw/zinc/44/10/64/1129441064.db2.gz NLRXZMSCXFWLOU-HXUWFJFHSA-N 2 1 348.531 3.531 50 0 EHAAMP CC(C)[NH+](C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012596521 1129441066 /nfs/dbraw/zinc/44/10/66/1129441066.db2.gz NLRXZMSCXFWLOU-HXUWFJFHSA-N 2 1 348.531 3.531 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000072164604 216052710 /nfs/dbraw/zinc/05/27/10/216052710.db2.gz QWSVNNCSONHLOM-MRXNPFEDSA-N 2 1 338.430 3.791 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000072164604 216052712 /nfs/dbraw/zinc/05/27/12/216052712.db2.gz QWSVNNCSONHLOM-MRXNPFEDSA-N 2 1 338.430 3.791 50 0 EHAAMP Cc1ccccc1C[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095967587 218472270 /nfs/dbraw/zinc/47/22/70/218472270.db2.gz YPFMKPZDENFZSL-IBGZPJMESA-N 2 1 337.511 3.618 50 0 EHAAMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000013511248 563926615 /nfs/dbraw/zinc/92/66/15/563926615.db2.gz TWTOFPRZEXCURK-LZLYRXPVSA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013511248 563926617 /nfs/dbraw/zinc/92/66/17/563926617.db2.gz TWTOFPRZEXCURK-LZLYRXPVSA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000013511248 563926619 /nfs/dbraw/zinc/92/66/19/563926619.db2.gz TWTOFPRZEXCURK-LZLYRXPVSA-N 2 1 334.504 3.645 50 0 EHAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000823557463 1131073666 /nfs/dbraw/zinc/07/36/66/1131073666.db2.gz QVUHMBRHUJCRCR-CYBMUJFWSA-N 2 1 345.878 3.586 50 0 EHAAMP Cc1ccc([C@H](C)CC[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000215041166 241102474 /nfs/dbraw/zinc/10/24/74/241102474.db2.gz MDTLHDMDMZIYFT-MRXNPFEDSA-N 2 1 327.472 3.997 50 0 EHAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)Cc2ccoc2)CC1 ZINC000012589834 563664194 /nfs/dbraw/zinc/66/41/94/563664194.db2.gz WURQFBDLWPWUHR-UHFFFAOYSA-N 2 1 342.483 3.675 50 0 EHAAMP COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000089735529 564113447 /nfs/dbraw/zinc/11/34/47/564113447.db2.gz VKEKHRYWWSAWLS-TXPKVOOTSA-N 2 1 327.472 3.714 50 0 EHAAMP COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000089735529 564113448 /nfs/dbraw/zinc/11/34/48/564113448.db2.gz VKEKHRYWWSAWLS-TXPKVOOTSA-N 2 1 327.472 3.714 50 0 EHAAMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000245316714 564169036 /nfs/dbraw/zinc/16/90/36/564169036.db2.gz KGEIHHUWMJPNNI-WBAXXEDZSA-N 2 1 342.462 3.597 50 0 EHAAMP C[C@@H](c1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1)[NH+](C)C ZINC000952968660 1137485021 /nfs/dbraw/zinc/48/50/21/1137485021.db2.gz FRMYJMSMPZNSMJ-SFHVURJKSA-N 2 1 329.532 3.760 50 0 EHAAMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000069160193 215366175 /nfs/dbraw/zinc/36/61/75/215366175.db2.gz GXIGTLQIEYBOEK-SFHVURJKSA-N 2 1 340.515 3.817 50 0 EHAAMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000069160193 215366176 /nfs/dbraw/zinc/36/61/76/215366176.db2.gz GXIGTLQIEYBOEK-SFHVURJKSA-N 2 1 340.515 3.817 50 0 EHAAMP COc1ccccc1[C@H](CC[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000009053079 211034609 /nfs/dbraw/zinc/03/46/09/211034609.db2.gz BRHFRTYUENEIQU-HXUWFJFHSA-N 2 1 338.495 3.901 50 0 EHAAMP COc1ccc(C[N@@H+](C)C2CCSCC2)cc1C[NH+]1CCCC1 ZINC000097413268 219022819 /nfs/dbraw/zinc/02/28/19/219022819.db2.gz XGEIKAMJIFHZOF-UHFFFAOYSA-N 2 1 334.529 3.618 50 0 EHAAMP CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000096461415 563954067 /nfs/dbraw/zinc/95/40/67/563954067.db2.gz PZUAYWYKDLRARL-HNNXBMFYSA-N 2 1 348.450 3.990 50 0 EHAAMP C[C@@H](C1CC[NH+](Cc2cc(CN3CCCCC3)cs2)CC1)[NH+](C)C ZINC000077300525 563968854 /nfs/dbraw/zinc/96/88/54/563968854.db2.gz UVDHMQSCSUGYKM-KRWDZBQOSA-N 2 1 349.588 3.896 50 0 EHAAMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cccc(CC[NH3+])c3)nc2c1 ZINC000077505539 563970144 /nfs/dbraw/zinc/97/01/44/563970144.db2.gz WKIAWRLTGQAZTG-HXUWFJFHSA-N 2 1 334.467 3.710 50 0 EHAAMP Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cccc(CC[NH3+])c3)nc2c1 ZINC000077505539 563970145 /nfs/dbraw/zinc/97/01/45/563970145.db2.gz WKIAWRLTGQAZTG-HXUWFJFHSA-N 2 1 334.467 3.710 50 0 EHAAMP Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cccc(CC[NH3+])c3)[nH]c2c1 ZINC000077505539 563970147 /nfs/dbraw/zinc/97/01/47/563970147.db2.gz WKIAWRLTGQAZTG-HXUWFJFHSA-N 2 1 334.467 3.710 50 0 EHAAMP Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cccc(CC[NH3+])c3)[nH]c2c1 ZINC000077505539 563970148 /nfs/dbraw/zinc/97/01/48/563970148.db2.gz WKIAWRLTGQAZTG-HXUWFJFHSA-N 2 1 334.467 3.710 50 0 EHAAMP COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000089735527 564113453 /nfs/dbraw/zinc/11/34/53/564113453.db2.gz VKEKHRYWWSAWLS-JTDSTZFVSA-N 2 1 327.472 3.714 50 0 EHAAMP COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](C)Cn3cc[nH+]c3C)C2)cc1 ZINC000089735527 564113454 /nfs/dbraw/zinc/11/34/54/564113454.db2.gz VKEKHRYWWSAWLS-JTDSTZFVSA-N 2 1 327.472 3.714 50 0 EHAAMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000245316713 564169048 /nfs/dbraw/zinc/16/90/48/564169048.db2.gz KGEIHHUWMJPNNI-QGTPRVQTSA-N 2 1 342.462 3.597 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788074 1032652212 /nfs/dbraw/zinc/65/22/12/1032652212.db2.gz TWNHZGPOBJHDGS-MRXNPFEDSA-N 2 1 332.517 3.992 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788074 1032652220 /nfs/dbraw/zinc/65/22/20/1032652220.db2.gz TWNHZGPOBJHDGS-MRXNPFEDSA-N 2 1 332.517 3.992 50 0 EHAAMP COc1cccc(C[N@@H+]2CCC[C@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575544691 1131568347 /nfs/dbraw/zinc/56/83/47/1131568347.db2.gz ALRGZUHYOINNKC-SFHVURJKSA-N 2 1 325.456 3.915 50 0 EHAAMP COc1cccc(C[N@H+]2CCC[C@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575544691 1131568350 /nfs/dbraw/zinc/56/83/50/1131568350.db2.gz ALRGZUHYOINNKC-SFHVURJKSA-N 2 1 325.456 3.915 50 0 EHAAMP C[C@@H](C[N@@H+](C)CC1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000093089262 218193074 /nfs/dbraw/zinc/19/30/74/218193074.db2.gz JPPJKJAFPAYELT-AWEZNQCLSA-N 2 1 339.321 3.826 50 0 EHAAMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000129846921 534409646 /nfs/dbraw/zinc/40/96/46/534409646.db2.gz WDXMOROHCUQYNZ-CVEARBPZSA-N 2 1 348.453 3.732 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525375 563970215 /nfs/dbraw/zinc/97/02/15/563970215.db2.gz BEEVMVBQNLGDQO-SFHVURJKSA-N 2 1 341.455 3.673 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525375 563970216 /nfs/dbraw/zinc/97/02/16/563970216.db2.gz BEEVMVBQNLGDQO-SFHVURJKSA-N 2 1 341.455 3.673 50 0 EHAAMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccco3)CC2)cs1 ZINC000095422302 564140019 /nfs/dbraw/zinc/14/00/19/564140019.db2.gz GQLLHYWGXSQDBX-CQSZACIVSA-N 2 1 333.501 3.861 50 0 EHAAMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)CCO4)CC2)[nH+]1 ZINC000178418361 1042112696 /nfs/dbraw/zinc/11/26/96/1042112696.db2.gz OEHRTOUMWJFOPQ-MRXNPFEDSA-N 2 1 337.467 3.645 50 0 EHAAMP CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(Cc3cccc4c3OCO4)C2)C1 ZINC000012072615 1129326572 /nfs/dbraw/zinc/32/65/72/1129326572.db2.gz ICZJQRUEDXIZEF-NRFANRHFSA-N 2 1 344.499 3.749 50 0 EHAAMP C[N@H+](Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCn2ccnc2C1 ZINC000377860466 1131158722 /nfs/dbraw/zinc/15/87/22/1131158722.db2.gz MSLMIMDGVCWRCI-MRXNPFEDSA-N 2 1 337.423 3.963 50 0 EHAAMP C[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860466 1131158725 /nfs/dbraw/zinc/15/87/25/1131158725.db2.gz MSLMIMDGVCWRCI-MRXNPFEDSA-N 2 1 337.423 3.963 50 0 EHAAMP C[N@H+](Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860466 1131158729 /nfs/dbraw/zinc/15/87/29/1131158729.db2.gz MSLMIMDGVCWRCI-MRXNPFEDSA-N 2 1 337.423 3.963 50 0 EHAAMP C[N@@H+](CCCOc1ccccc1Cl)Cc1ccc(CC[NH3+])cc1 ZINC000952962633 1137483787 /nfs/dbraw/zinc/48/37/87/1137483787.db2.gz HICUHKIVGMNLPT-UHFFFAOYSA-N 2 1 332.875 3.742 50 0 EHAAMP COc1ccc(/C=C/C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000952965219 1137483894 /nfs/dbraw/zinc/48/38/94/1137483894.db2.gz SPCKUDICGJXLEM-HWKANZROSA-N 2 1 337.467 3.624 50 0 EHAAMP CCCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000216202960 241174547 /nfs/dbraw/zinc/17/45/47/241174547.db2.gz MRIJCZBOSRZRLJ-IBGZPJMESA-N 2 1 326.488 3.692 50 0 EHAAMP CCCn1ccnc1C[N@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000216202960 241174551 /nfs/dbraw/zinc/17/45/51/241174551.db2.gz MRIJCZBOSRZRLJ-IBGZPJMESA-N 2 1 326.488 3.692 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215439957 241125325 /nfs/dbraw/zinc/12/53/25/241125325.db2.gz KMKGESLSCHCURV-INIZCTEOSA-N 2 1 333.501 3.788 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215439957 241125328 /nfs/dbraw/zinc/12/53/28/241125328.db2.gz KMKGESLSCHCURV-INIZCTEOSA-N 2 1 333.501 3.788 50 0 EHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cccc(O)c3)CC2)o1 ZINC000012076405 211287058 /nfs/dbraw/zinc/28/70/58/211287058.db2.gz PWBAJAGIRSBSJO-UHFFFAOYSA-N 2 1 328.456 3.638 50 0 EHAAMP Cc1nnc([C@H](C)[N@H+](C)CC2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000095351046 218284867 /nfs/dbraw/zinc/28/48/67/218284867.db2.gz IFNMTJOUHBFYFN-INIZCTEOSA-N 2 1 342.487 3.673 50 0 EHAAMP Cc1nnc([C@H](C)[N@@H+](C)CC2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000095351046 218284869 /nfs/dbraw/zinc/28/48/69/218284869.db2.gz IFNMTJOUHBFYFN-INIZCTEOSA-N 2 1 342.487 3.673 50 0 EHAAMP COc1ccc(-c2ccc(C[N@H+](C)CCCc3[nH+]ccn3C)o2)cc1 ZINC000215631249 536896036 /nfs/dbraw/zinc/89/60/36/536896036.db2.gz OBHWPOYDVVFCSD-UHFFFAOYSA-N 2 1 339.439 3.753 50 0 EHAAMP COc1ccc(-c2ccc(C[N@@H+](C)CCCc3[nH+]ccn3C)o2)cc1 ZINC000215631249 536896039 /nfs/dbraw/zinc/89/60/39/536896039.db2.gz OBHWPOYDVVFCSD-UHFFFAOYSA-N 2 1 339.439 3.753 50 0 EHAAMP Cc1cc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)oc2cc1C ZINC000096453983 563953841 /nfs/dbraw/zinc/95/38/41/563953841.db2.gz BRHWAGYLNHUOKE-QGZVFWFLSA-N 2 1 342.483 3.640 50 0 EHAAMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000085307297 564072492 /nfs/dbraw/zinc/07/24/92/564072492.db2.gz UFITUWFARCFVLL-XMMPIXPASA-N 2 1 348.556 3.558 50 0 EHAAMP c1cnc2c(c1)cccc2C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000055107548 214273988 /nfs/dbraw/zinc/27/39/88/214273988.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 2 1 335.495 3.933 50 0 EHAAMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000055107548 214273990 /nfs/dbraw/zinc/27/39/90/214273990.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 2 1 335.495 3.933 50 0 EHAAMP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000055107548 214273993 /nfs/dbraw/zinc/27/39/93/214273993.db2.gz OGZAYDCPSWULBY-JOCHJYFZSA-N 2 1 335.495 3.933 50 0 EHAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)CC2)cc[nH+]1 ZINC000072131910 216021086 /nfs/dbraw/zinc/02/10/86/216021086.db2.gz ZBTVSFFHOYFIJK-UHFFFAOYSA-N 2 1 347.409 3.704 50 0 EHAAMP C[C@@H](C1CC[NH+](Cc2cc(CN(C)C)cs2)CC1)[NH+]1CCCC1 ZINC000072436388 216230990 /nfs/dbraw/zinc/23/09/90/216230990.db2.gz FMJGRDQUEISZDC-INIZCTEOSA-N 2 1 335.561 3.506 50 0 EHAAMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)Cc1ccccn1 ZINC000215859956 241150321 /nfs/dbraw/zinc/15/03/21/241150321.db2.gz ZJKWOLVCDNJOTP-UHFFFAOYSA-N 2 1 339.483 3.578 50 0 EHAAMP C[N@@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)Cc1ccccn1 ZINC000215859956 241150323 /nfs/dbraw/zinc/15/03/23/241150323.db2.gz ZJKWOLVCDNJOTP-UHFFFAOYSA-N 2 1 339.483 3.578 50 0 EHAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250418 /nfs/dbraw/zinc/25/04/18/211250418.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 2 1 344.524 3.836 50 0 EHAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250423 /nfs/dbraw/zinc/25/04/23/211250423.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 2 1 344.524 3.836 50 0 EHAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250425 /nfs/dbraw/zinc/25/04/25/211250425.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 2 1 344.524 3.836 50 0 EHAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250430 /nfs/dbraw/zinc/25/04/30/211250430.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 2 1 344.524 3.836 50 0 EHAAMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC000095419484 218359342 /nfs/dbraw/zinc/35/93/42/218359342.db2.gz PQNYILCKKQWOKL-OAHLLOKOSA-N 2 1 346.421 3.648 50 0 EHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000043089163 563925221 /nfs/dbraw/zinc/92/52/21/563925221.db2.gz YHNKFBGZWZSVCW-AEFFLSMTSA-N 2 1 337.471 3.514 50 0 EHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000043089163 563925223 /nfs/dbraw/zinc/92/52/23/563925223.db2.gz YHNKFBGZWZSVCW-AEFFLSMTSA-N 2 1 337.471 3.514 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077541745 563970281 /nfs/dbraw/zinc/97/02/81/563970281.db2.gz FOYPLVUPKVKTKO-GOSISDBHSA-N 2 1 349.482 3.888 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000077541745 563970282 /nfs/dbraw/zinc/97/02/82/563970282.db2.gz FOYPLVUPKVKTKO-GOSISDBHSA-N 2 1 349.482 3.888 50 0 EHAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2c(F)cccc2Cl)C1 ZINC000097815033 563981994 /nfs/dbraw/zinc/98/19/94/563981994.db2.gz WPPZWTXUEIRTSE-CQSZACIVSA-N 2 1 348.849 3.839 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000575317568 1131541208 /nfs/dbraw/zinc/54/12/08/1131541208.db2.gz NVEDWUHMBKAWDB-FQEVSTJZSA-N 2 1 341.499 3.601 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000575317568 1131541213 /nfs/dbraw/zinc/54/12/13/1131541213.db2.gz NVEDWUHMBKAWDB-FQEVSTJZSA-N 2 1 341.499 3.601 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000581815380 1132371933 /nfs/dbraw/zinc/37/19/33/1132371933.db2.gz APRZHIPXYDZJHM-LJQANCHMSA-N 2 1 333.520 3.673 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000581815380 1132371941 /nfs/dbraw/zinc/37/19/41/1132371941.db2.gz APRZHIPXYDZJHM-LJQANCHMSA-N 2 1 333.520 3.673 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1ccc2cccc(F)c2n1 ZINC000952972209 1137484271 /nfs/dbraw/zinc/48/42/71/1137484271.db2.gz VCAHKEOCMQMOBA-UHFFFAOYSA-N 2 1 326.419 3.874 50 0 EHAAMP CC(C)[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012443777 211384168 /nfs/dbraw/zinc/38/41/68/211384168.db2.gz VCTVGINVQRVCKM-HXUWFJFHSA-N 2 1 348.506 3.927 50 0 EHAAMP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000058014181 563936638 /nfs/dbraw/zinc/93/66/38/563936638.db2.gz ZUJCQJFPTOTSIK-UHFFFAOYSA-N 2 1 325.387 3.618 50 0 EHAAMP Cc1cc(N2CCC([NH2+]Cc3cc(C)c(C)cc3C)CC2)nc(C)[nH+]1 ZINC000170021713 564104840 /nfs/dbraw/zinc/10/48/40/564104840.db2.gz MAOPMHOKQJATAY-UHFFFAOYSA-N 2 1 338.499 3.777 50 0 EHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncc(F)c3)CC2)cs1 ZINC000095422299 564140044 /nfs/dbraw/zinc/14/00/44/564140044.db2.gz MQKJYZHMSLVJCE-ZDUSSCGKSA-N 2 1 348.491 3.548 50 0 EHAAMP C[NH+](C)Cc1csc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 ZINC000095385994 218317715 /nfs/dbraw/zinc/31/77/15/218317715.db2.gz GDAHNOZPUYEENF-PKOBYXMFSA-N 2 1 347.572 3.506 50 0 EHAAMP C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1 ZINC000095385994 218317717 /nfs/dbraw/zinc/31/77/17/218317717.db2.gz GDAHNOZPUYEENF-PKOBYXMFSA-N 2 1 347.572 3.506 50 0 EHAAMP C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000095385994 218317719 /nfs/dbraw/zinc/31/77/19/218317719.db2.gz GDAHNOZPUYEENF-PKOBYXMFSA-N 2 1 347.572 3.506 50 0 EHAAMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484367 563955332 /nfs/dbraw/zinc/95/53/32/563955332.db2.gz KGEIHHUWMJPNNI-BMGDILEWSA-N 2 1 342.462 3.597 50 0 EHAAMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232082 563970726 /nfs/dbraw/zinc/97/07/26/563970726.db2.gz OMRORPZRNPOTMS-RTBURBONSA-N 2 1 345.556 3.583 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801731 564086572 /nfs/dbraw/zinc/08/65/72/564086572.db2.gz UKYRPYRAXXZEAT-QFBILLFUSA-N 2 1 347.466 3.505 50 0 EHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccsc3)CC2)cs1 ZINC000095422295 564140040 /nfs/dbraw/zinc/14/00/40/564140040.db2.gz FXDRWVMUBNFXGZ-AWEZNQCLSA-N 2 1 349.569 3.946 50 0 EHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccsc3)CC2)cs1 ZINC000095422296 564140065 /nfs/dbraw/zinc/14/00/65/564140065.db2.gz FXDRWVMUBNFXGZ-CQSZACIVSA-N 2 1 349.569 3.946 50 0 EHAAMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000069833322 564172402 /nfs/dbraw/zinc/17/24/02/564172402.db2.gz ZRZMGUZZNAUCFS-IYBDPMFKSA-N 2 1 330.497 3.647 50 0 EHAAMP Cc1ccsc1C[N@H+]1CC[C@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575550770 1131573171 /nfs/dbraw/zinc/57/31/71/1131573171.db2.gz XZPOWZNGSZOEFN-KRWDZBQOSA-N 2 1 345.512 3.902 50 0 EHAAMP Cc1ccsc1C[N@@H+]1CC[C@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575550770 1131573174 /nfs/dbraw/zinc/57/31/74/1131573174.db2.gz XZPOWZNGSZOEFN-KRWDZBQOSA-N 2 1 345.512 3.902 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000129372498 223049054 /nfs/dbraw/zinc/04/90/54/223049054.db2.gz LZTPYZUNFXVPAW-LSDHHAIUSA-N 2 1 338.377 3.786 50 0 EHAAMP CC[N@@H+](Cc1ccccc1)C1CCN(C[C@H]2CCC[NH+](CC)C2)CC1 ZINC000032523797 563913868 /nfs/dbraw/zinc/91/38/68/563913868.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 2 1 343.559 3.705 50 0 EHAAMP CC[NH+](Cc1ccccc1)C1CCN(C[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000032523797 563913870 /nfs/dbraw/zinc/91/38/70/563913870.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 2 1 343.559 3.705 50 0 EHAAMP CC[NH+](Cc1ccccc1)C1CCN(C[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000032523797 563913871 /nfs/dbraw/zinc/91/38/71/563913871.db2.gz FRSCUQNEBUANQX-NRFANRHFSA-N 2 1 343.559 3.705 50 0 EHAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000096162551 563979879 /nfs/dbraw/zinc/97/98/79/563979879.db2.gz QDFZILIUTXFHMB-NRFANRHFSA-N 2 1 335.495 3.783 50 0 EHAAMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000248150555 563995342 /nfs/dbraw/zinc/99/53/42/563995342.db2.gz TWTOFPRZEXCURK-JFIYKMOQSA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248150555 563995343 /nfs/dbraw/zinc/99/53/43/563995343.db2.gz TWTOFPRZEXCURK-JFIYKMOQSA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248150555 563995344 /nfs/dbraw/zinc/99/53/44/563995344.db2.gz TWTOFPRZEXCURK-JFIYKMOQSA-N 2 1 334.504 3.645 50 0 EHAAMP Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4ccnc(C)n4)C3)C2)c1 ZINC000426503335 563996196 /nfs/dbraw/zinc/99/61/96/563996196.db2.gz PDFDUKKIKGPNIN-NRFANRHFSA-N 2 1 336.483 3.586 50 0 EHAAMP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000097238358 564149625 /nfs/dbraw/zinc/14/96/25/564149625.db2.gz QONNYCNODVPBRE-GFCCVEGCSA-N 2 1 346.441 3.586 50 0 EHAAMP COc1cccc(C[N@@H+]2CC[C@@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575547322 1131572024 /nfs/dbraw/zinc/57/20/24/1131572024.db2.gz ZCPVZVRADOKPCA-SFHVURJKSA-N 2 1 327.472 3.846 50 0 EHAAMP COc1cccc(C[N@H+]2CC[C@@H](Cc3[nH+]cc(C)n3C(C)C)C2)c1 ZINC000575547322 1131572026 /nfs/dbraw/zinc/57/20/26/1131572026.db2.gz ZCPVZVRADOKPCA-SFHVURJKSA-N 2 1 327.472 3.846 50 0 EHAAMP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)C1CCCCC1 ZINC000952974622 1137484581 /nfs/dbraw/zinc/48/45/81/1137484581.db2.gz QGFPRXLJGGVMHZ-QGZVFWFLSA-N 2 1 343.515 3.874 50 0 EHAAMP COc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)c(C)c1C ZINC000097679866 219047071 /nfs/dbraw/zinc/04/70/71/219047071.db2.gz OHHJCUAEFYULCF-UHFFFAOYSA-N 2 1 327.472 3.729 50 0 EHAAMP Cc1cc(C)n(CCC[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)n1 ZINC000216353106 241186827 /nfs/dbraw/zinc/18/68/27/241186827.db2.gz MYKSFQQTPXLLPH-UHFFFAOYSA-N 2 1 346.544 3.679 50 0 EHAAMP C[N@@H+](CCc1ccccn1)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216359831 241186951 /nfs/dbraw/zinc/18/69/51/241186951.db2.gz URDUUVBWLPORNU-UHFFFAOYSA-N 2 1 329.513 3.804 50 0 EHAAMP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000019742775 212060611 /nfs/dbraw/zinc/06/06/11/212060611.db2.gz XRXYYHWXDORXSE-JOCHJYFZSA-N 2 1 343.559 3.533 50 0 EHAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC3CC[NH+](C)CC3)C2)cc1 ZINC000019742775 212060617 /nfs/dbraw/zinc/06/06/17/212060617.db2.gz XRXYYHWXDORXSE-JOCHJYFZSA-N 2 1 343.559 3.533 50 0 EHAAMP CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CC[NH+](C)CC3)C2)cc1 ZINC000019742775 212060619 /nfs/dbraw/zinc/06/06/19/212060619.db2.gz XRXYYHWXDORXSE-JOCHJYFZSA-N 2 1 343.559 3.533 50 0 EHAAMP Cc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000095421736 218364244 /nfs/dbraw/zinc/36/42/44/218364244.db2.gz LTICTGBJWWXOFW-IEBWSBKVSA-N 2 1 343.540 3.696 50 0 EHAAMP C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299786088 258093175 /nfs/dbraw/zinc/09/31/75/258093175.db2.gz MTAPRRBTCXIYLO-NRFANRHFSA-N 2 1 338.495 3.740 50 0 EHAAMP CCc1ccc2c(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000058416015 563945428 /nfs/dbraw/zinc/94/54/28/563945428.db2.gz BGFXRIRPLSWIRJ-UHFFFAOYSA-N 2 1 342.483 3.660 50 0 EHAAMP CCc1ccc2c(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000058416015 563945429 /nfs/dbraw/zinc/94/54/29/563945429.db2.gz BGFXRIRPLSWIRJ-UHFFFAOYSA-N 2 1 342.483 3.660 50 0 EHAAMP c1nc(CC2CCCC2)[nH]c1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077505509 563970058 /nfs/dbraw/zinc/97/00/58/563970058.db2.gz GRZRUDPRBVEAHF-FQEVSTJZSA-N 2 1 344.547 3.983 50 0 EHAAMP CCC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000095525533 563977447 /nfs/dbraw/zinc/97/74/47/563977447.db2.gz YFALZZNRTWPIDR-FQEVSTJZSA-N 2 1 348.531 3.533 50 0 EHAAMP CCC[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095525533 563977448 /nfs/dbraw/zinc/97/74/48/563977448.db2.gz YFALZZNRTWPIDR-FQEVSTJZSA-N 2 1 348.531 3.533 50 0 EHAAMP CCC[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000095525533 563977449 /nfs/dbraw/zinc/97/74/49/563977449.db2.gz YFALZZNRTWPIDR-FQEVSTJZSA-N 2 1 348.531 3.533 50 0 EHAAMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)s1)CC1(CO)CCCC1 ZINC000214951896 564033477 /nfs/dbraw/zinc/03/34/77/564033477.db2.gz UGJQBQTWFWVGQR-UHFFFAOYSA-N 2 1 336.545 3.719 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801730 564086582 /nfs/dbraw/zinc/08/65/82/564086582.db2.gz UKYRPYRAXXZEAT-VQIMIIECSA-N 2 1 347.466 3.505 50 0 EHAAMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000095968503 564143170 /nfs/dbraw/zinc/14/31/70/564143170.db2.gz JYOBYPSIBKSNGE-UHFFFAOYSA-N 2 1 346.906 3.884 50 0 EHAAMP CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095971784 564143429 /nfs/dbraw/zinc/14/34/29/564143429.db2.gz QZYJKRRQYOUOFT-HKBOAZHASA-N 2 1 341.543 3.893 50 0 EHAAMP C[NH+]1CCC([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000354973012 1127215914 /nfs/dbraw/zinc/21/59/14/1127215914.db2.gz VXEAFSPENHNAEL-IBGZPJMESA-N 2 1 329.875 3.703 50 0 EHAAMP C[C@H](c1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1)[NH+](C)C ZINC000823648985 1131073695 /nfs/dbraw/zinc/07/36/95/1131073695.db2.gz MXFZMXGMLZFTPB-QGZVFWFLSA-N 2 1 343.540 3.689 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546646 1131572256 /nfs/dbraw/zinc/57/22/56/1131572256.db2.gz RYGDNQQALKNSPU-HXUWFJFHSA-N 2 1 348.494 3.643 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546646 1131572260 /nfs/dbraw/zinc/57/22/60/1131572260.db2.gz RYGDNQQALKNSPU-HXUWFJFHSA-N 2 1 348.494 3.643 50 0 EHAAMP C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000097638001 219043714 /nfs/dbraw/zinc/04/37/14/219043714.db2.gz XMOBPLJGQQVCJQ-MRXNPFEDSA-N 2 1 344.528 3.587 50 0 EHAAMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654200 219044215 /nfs/dbraw/zinc/04/42/15/219044215.db2.gz OMNUJLIHFVINGN-SFHVURJKSA-N 2 1 347.572 3.618 50 0 EHAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654200 219044216 /nfs/dbraw/zinc/04/42/16/219044216.db2.gz OMNUJLIHFVINGN-SFHVURJKSA-N 2 1 347.572 3.618 50 0 EHAAMP COc1ccc(-c2cc(N3CC[NH+](C)CC3)c3ccccc3[nH+]2)cc1 ZINC000004542893 210217732 /nfs/dbraw/zinc/21/77/32/210217732.db2.gz KWCNMDPYNBVKML-UHFFFAOYSA-N 2 1 333.435 3.662 50 0 EHAAMP CC(C)[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154808 216043347 /nfs/dbraw/zinc/04/33/47/216043347.db2.gz YEFVLFJXUHFRAA-INIZCTEOSA-N 2 1 326.431 3.840 50 0 EHAAMP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154808 216043349 /nfs/dbraw/zinc/04/33/49/216043349.db2.gz YEFVLFJXUHFRAA-INIZCTEOSA-N 2 1 326.431 3.840 50 0 EHAAMP CC(C)[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154808 216043351 /nfs/dbraw/zinc/04/33/51/216043351.db2.gz YEFVLFJXUHFRAA-INIZCTEOSA-N 2 1 326.431 3.840 50 0 EHAAMP CC(C)[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154808 216043353 /nfs/dbraw/zinc/04/33/53/216043353.db2.gz YEFVLFJXUHFRAA-INIZCTEOSA-N 2 1 326.431 3.840 50 0 EHAAMP C[N@H+](Cc1cccnc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012434564 211380055 /nfs/dbraw/zinc/38/00/55/211380055.db2.gz JKJCZSNGQNKYLG-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP Cc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000095421735 218363724 /nfs/dbraw/zinc/36/37/24/218363724.db2.gz LTICTGBJWWXOFW-HKUYNNGSSA-N 2 1 343.540 3.696 50 0 EHAAMP Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000095421734 218363786 /nfs/dbraw/zinc/36/37/86/218363786.db2.gz LTICTGBJWWXOFW-MJGOQNOKSA-N 2 1 343.540 3.696 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc2nsnc2c1 ZINC000077302069 563968899 /nfs/dbraw/zinc/96/88/99/563968899.db2.gz DTDLCROHEGEJCL-MRXNPFEDSA-N 2 1 341.484 3.641 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc2nsnc2c1 ZINC000077302069 563968900 /nfs/dbraw/zinc/96/89/00/563968900.db2.gz DTDLCROHEGEJCL-MRXNPFEDSA-N 2 1 341.484 3.641 50 0 EHAAMP CCc1nccc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000215678693 564033616 /nfs/dbraw/zinc/03/36/16/564033616.db2.gz KCDDFCUZIUCSNV-HXUWFJFHSA-N 2 1 338.499 3.828 50 0 EHAAMP Cc1cccc(N2CCC([NH2+]Cc3cnc(C4CCC4)s3)CC2)[nH+]1 ZINC000089688937 564113045 /nfs/dbraw/zinc/11/30/45/564113045.db2.gz ONHFVWSDMKYMNV-UHFFFAOYSA-N 2 1 342.512 3.873 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581807141 1132370306 /nfs/dbraw/zinc/37/03/06/1132370306.db2.gz DHJISZPZVSCHBR-IBGZPJMESA-N 2 1 325.456 3.533 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581807141 1132370315 /nfs/dbraw/zinc/37/03/15/1132370315.db2.gz DHJISZPZVSCHBR-IBGZPJMESA-N 2 1 325.456 3.533 50 0 EHAAMP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)C1CCCCC1 ZINC000952974618 1137484591 /nfs/dbraw/zinc/48/45/91/1137484591.db2.gz QGFPRXLJGGVMHZ-KRWDZBQOSA-N 2 1 343.515 3.874 50 0 EHAAMP CCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1C ZINC000067676493 215182662 /nfs/dbraw/zinc/18/26/62/215182662.db2.gz JBTRDMFLECMCAB-NRFANRHFSA-N 2 1 344.547 3.608 50 0 EHAAMP CCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)c1C ZINC000067676493 215182663 /nfs/dbraw/zinc/18/26/63/215182663.db2.gz JBTRDMFLECMCAB-NRFANRHFSA-N 2 1 344.547 3.608 50 0 EHAAMP CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1C ZINC000067676493 215182667 /nfs/dbraw/zinc/18/26/67/215182667.db2.gz JBTRDMFLECMCAB-NRFANRHFSA-N 2 1 344.547 3.608 50 0 EHAAMP CCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1C ZINC000067676493 215182670 /nfs/dbraw/zinc/18/26/70/215182670.db2.gz JBTRDMFLECMCAB-NRFANRHFSA-N 2 1 344.547 3.608 50 0 EHAAMP C[C@H](C1CC[NH+](Cc2cc(CN(C)C)cs2)CC1)[NH+]1CCCC1 ZINC000072436390 216230688 /nfs/dbraw/zinc/23/06/88/216230688.db2.gz FMJGRDQUEISZDC-MRXNPFEDSA-N 2 1 335.561 3.506 50 0 EHAAMP CSCC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000299778542 258088573 /nfs/dbraw/zinc/08/85/73/258088573.db2.gz GXATXNDIDYKHAX-FQEVSTJZSA-N 2 1 332.557 3.974 50 0 EHAAMP CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000096461414 563954055 /nfs/dbraw/zinc/95/40/55/563954055.db2.gz PZUAYWYKDLRARL-OAHLLOKOSA-N 2 1 348.450 3.990 50 0 EHAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NC3CCCCC3)c12 ZINC000005348830 564003025 /nfs/dbraw/zinc/00/30/25/564003025.db2.gz OHRHJQXHIWOGAW-UHFFFAOYSA-N 2 1 329.492 3.744 50 0 EHAAMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccs1 ZINC000108113680 564027798 /nfs/dbraw/zinc/02/77/98/564027798.db2.gz XJZVPKOTIVVMQM-JKSUJKDBSA-N 2 1 330.497 3.820 50 0 EHAAMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccs1 ZINC000108113680 564027799 /nfs/dbraw/zinc/02/77/99/564027799.db2.gz XJZVPKOTIVVMQM-JKSUJKDBSA-N 2 1 330.497 3.820 50 0 EHAAMP CC[N@H+]1CCC[C@H](CNCc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000063917427 564083132 /nfs/dbraw/zinc/08/31/32/564083132.db2.gz GXIGTLQIEYBOEK-GOSISDBHSA-N 2 1 340.515 3.817 50 0 EHAAMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000063917427 564083133 /nfs/dbraw/zinc/08/31/33/564083133.db2.gz GXIGTLQIEYBOEK-GOSISDBHSA-N 2 1 340.515 3.817 50 0 EHAAMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000063917427 564083134 /nfs/dbraw/zinc/08/31/34/564083134.db2.gz GXIGTLQIEYBOEK-GOSISDBHSA-N 2 1 340.515 3.817 50 0 EHAAMP CCCn1c(C)c[nH+]c1C[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575545559 1131568709 /nfs/dbraw/zinc/56/87/09/1131568709.db2.gz IFKGPRSHQPJRPZ-GOSISDBHSA-N 2 1 327.472 3.675 50 0 EHAAMP CCCn1c(C)c[nH+]c1C[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575545559 1131568714 /nfs/dbraw/zinc/56/87/14/1131568714.db2.gz IFKGPRSHQPJRPZ-GOSISDBHSA-N 2 1 327.472 3.675 50 0 EHAAMP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000098052682 219073114 /nfs/dbraw/zinc/07/31/14/219073114.db2.gz RBFWGAHCKQWPLC-HTXNQAPBSA-N 2 1 335.495 3.782 50 0 EHAAMP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)CC=C(C)C)C1 ZINC000012467881 211390898 /nfs/dbraw/zinc/39/08/98/211390898.db2.gz JZJTXJIGQBEGOY-IBGZPJMESA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)CC=C(C)C)C1 ZINC000012467881 211390901 /nfs/dbraw/zinc/39/09/01/211390901.db2.gz JZJTXJIGQBEGOY-IBGZPJMESA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC000012467881 211390904 /nfs/dbraw/zinc/39/09/04/211390904.db2.gz JZJTXJIGQBEGOY-IBGZPJMESA-N 2 1 330.516 3.848 50 0 EHAAMP CCn1cncc1-c1c(-c2ccccc2)ncn1C[C@]1(C)CC[N@@H+](C)C1 ZINC000065488201 563961371 /nfs/dbraw/zinc/96/13/71/563961371.db2.gz HQDYDXGTFBRHRE-OAQYLSRUSA-N 2 1 349.482 3.775 50 0 EHAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)cc(C)[nH+]1 ZINC000095509229 563977215 /nfs/dbraw/zinc/97/72/15/563977215.db2.gz XCSYIMUGQXIACN-GOSISDBHSA-N 2 1 347.466 3.722 50 0 EHAAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000089735650 564113420 /nfs/dbraw/zinc/11/34/20/564113420.db2.gz DVATVCSGWBFSRR-UHFFFAOYSA-N 2 1 340.240 3.615 50 0 EHAAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cc1F ZINC000089735650 564113421 /nfs/dbraw/zinc/11/34/21/564113421.db2.gz DVATVCSGWBFSRR-UHFFFAOYSA-N 2 1 340.240 3.615 50 0 EHAAMP Clc1ccsc1CNCc1ccc(CN2CCOCC2)cc1 ZINC000225608862 564149951 /nfs/dbraw/zinc/14/99/51/564149951.db2.gz NFFUHUFHUGVCIX-UHFFFAOYSA-N 2 1 336.888 3.524 50 0 EHAAMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000069520426 564170142 /nfs/dbraw/zinc/17/01/42/564170142.db2.gz HFBFKKGHVPMYOT-INIZCTEOSA-N 2 1 340.471 3.605 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545387 1131568605 /nfs/dbraw/zinc/56/86/05/1131568605.db2.gz LKVKOKHHFWVEME-GOSISDBHSA-N 2 1 327.447 3.805 50 0 EHAAMP Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545387 1131568609 /nfs/dbraw/zinc/56/86/09/1131568609.db2.gz LKVKOKHHFWVEME-GOSISDBHSA-N 2 1 327.447 3.805 50 0 EHAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2cc[nH+]c2C)o1 ZINC000078552914 217073069 /nfs/dbraw/zinc/07/30/69/217073069.db2.gz ZKRVHJWSQAISRY-UHFFFAOYSA-N 2 1 347.422 3.762 50 0 EHAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)CC=C(C)C)C2)cc1 ZINC000011842066 211256317 /nfs/dbraw/zinc/25/63/17/211256317.db2.gz TYMXQFRNZYRIFK-HXUWFJFHSA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)CC=C(C)C)C2)cc1 ZINC000011842066 211256320 /nfs/dbraw/zinc/25/63/20/211256320.db2.gz TYMXQFRNZYRIFK-HXUWFJFHSA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)CC=C(C)C)C2)cc1 ZINC000011842066 211256324 /nfs/dbraw/zinc/25/63/24/211256324.db2.gz TYMXQFRNZYRIFK-HXUWFJFHSA-N 2 1 330.516 3.848 50 0 EHAAMP C[C@H](C[NH3+])Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000299760775 258077902 /nfs/dbraw/zinc/07/79/02/258077902.db2.gz XEBWPZVDNGXMAL-MRXNPFEDSA-N 2 1 335.451 3.593 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1Cl ZINC000077505771 563970137 /nfs/dbraw/zinc/97/01/37/563970137.db2.gz XMNKLAGQMKQFLZ-MRXNPFEDSA-N 2 1 333.863 3.995 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1Cl ZINC000077505771 563970138 /nfs/dbraw/zinc/97/01/38/563970138.db2.gz XMNKLAGQMKQFLZ-MRXNPFEDSA-N 2 1 333.863 3.995 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(F)cc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000089735862 564113480 /nfs/dbraw/zinc/11/34/80/564113480.db2.gz ILEKGUCPDLOFSA-AWEZNQCLSA-N 2 1 339.414 3.663 50 0 EHAAMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000225748395 564150434 /nfs/dbraw/zinc/15/04/34/564150434.db2.gz ANLICJWSDXUMQE-LNLFQRSKSA-N 2 1 343.515 3.587 50 0 EHAAMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000225748395 564150435 /nfs/dbraw/zinc/15/04/35/564150435.db2.gz ANLICJWSDXUMQE-LNLFQRSKSA-N 2 1 343.515 3.587 50 0 EHAAMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000225748395 564150436 /nfs/dbraw/zinc/15/04/36/564150436.db2.gz ANLICJWSDXUMQE-LNLFQRSKSA-N 2 1 343.515 3.587 50 0 EHAAMP CC[N@H+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CC[NH+](CC)C1 ZINC000952973362 1137484385 /nfs/dbraw/zinc/48/43/85/1137484385.db2.gz IQMPUASEQPOUKJ-AWEZNQCLSA-N 2 1 347.890 3.758 50 0 EHAAMP CC[NH+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CC[N@H+](CC)C1 ZINC000952973362 1137484387 /nfs/dbraw/zinc/48/43/87/1137484387.db2.gz IQMPUASEQPOUKJ-AWEZNQCLSA-N 2 1 347.890 3.758 50 0 EHAAMP CC[NH+](Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CC[N@@H+](CC)C1 ZINC000952973362 1137484389 /nfs/dbraw/zinc/48/43/89/1137484389.db2.gz IQMPUASEQPOUKJ-AWEZNQCLSA-N 2 1 347.890 3.758 50 0 EHAAMP Cc1cccc2nc(C3CC[NH+](Cc4ccc(CC[NH3+])cc4)CC3)[nH]c21 ZINC000072119513 216013798 /nfs/dbraw/zinc/01/37/98/216013798.db2.gz XPGAVAZJLWCCPL-UHFFFAOYSA-N 2 1 348.494 3.752 50 0 EHAAMP CCc1nccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000106216951 1044352152 /nfs/dbraw/zinc/35/21/52/1044352152.db2.gz RUGKVPGHVSQADZ-OAHLLOKOSA-N 2 1 333.863 3.815 50 0 EHAAMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC000055154508 214280738 /nfs/dbraw/zinc/28/07/38/214280738.db2.gz PMDSZRWYODIVQC-OAQYLSRUSA-N 2 1 328.500 3.783 50 0 EHAAMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC000055154508 214280741 /nfs/dbraw/zinc/28/07/41/214280741.db2.gz PMDSZRWYODIVQC-OAQYLSRUSA-N 2 1 328.500 3.783 50 0 EHAAMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1 ZINC000055154508 214280742 /nfs/dbraw/zinc/28/07/42/214280742.db2.gz PMDSZRWYODIVQC-OAQYLSRUSA-N 2 1 328.500 3.783 50 0 EHAAMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1 ZINC000055154508 214280745 /nfs/dbraw/zinc/28/07/45/214280745.db2.gz PMDSZRWYODIVQC-OAQYLSRUSA-N 2 1 328.500 3.783 50 0 EHAAMP OCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055167308 214282312 /nfs/dbraw/zinc/28/23/12/214282312.db2.gz APFMEMLONIXXCT-LEWJYISDSA-N 2 1 330.516 3.526 50 0 EHAAMP OCCCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055167308 214282315 /nfs/dbraw/zinc/28/23/15/214282315.db2.gz APFMEMLONIXXCT-LEWJYISDSA-N 2 1 330.516 3.526 50 0 EHAAMP OCCCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055167308 214282317 /nfs/dbraw/zinc/28/23/17/214282317.db2.gz APFMEMLONIXXCT-LEWJYISDSA-N 2 1 330.516 3.526 50 0 EHAAMP OCCCC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055167308 214282318 /nfs/dbraw/zinc/28/23/18/214282318.db2.gz APFMEMLONIXXCT-LEWJYISDSA-N 2 1 330.516 3.526 50 0 EHAAMP Cc1ccc[nH+]c1N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012198931 211318233 /nfs/dbraw/zinc/31/82/33/211318233.db2.gz QUFRQGMVVLRNAL-HXUWFJFHSA-N 2 1 336.483 3.524 50 0 EHAAMP COCc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000096479045 564148527 /nfs/dbraw/zinc/14/85/27/564148527.db2.gz CKDZOCVNJNIILK-INIZCTEOSA-N 2 1 346.515 3.899 50 0 EHAAMP COc1ccc(CC[N@H+](Cc2ccoc2)CC2CC[NH+](C)CC2)cc1 ZINC000011818477 1129001215 /nfs/dbraw/zinc/00/12/15/1129001215.db2.gz NWIJLBJNENJCMX-UHFFFAOYSA-N 2 1 342.483 3.675 50 0 EHAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000011937758 1129192958 /nfs/dbraw/zinc/19/29/58/1129192958.db2.gz ZMYBSFFDIIGADH-OAQYLSRUSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000011937758 1129192962 /nfs/dbraw/zinc/19/29/62/1129192962.db2.gz ZMYBSFFDIIGADH-OAQYLSRUSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000011937758 1129192964 /nfs/dbraw/zinc/19/29/64/1129192964.db2.gz ZMYBSFFDIIGADH-OAQYLSRUSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000011937758 1129192967 /nfs/dbraw/zinc/19/29/67/1129192967.db2.gz ZMYBSFFDIIGADH-OAQYLSRUSA-N 2 1 337.511 3.777 50 0 EHAAMP Cc1cccc(-n2cc(C[NH2+]CCCn3cc[nH+]c3C(C)C)cn2)c1 ZINC000952991035 1137485760 /nfs/dbraw/zinc/48/57/60/1137485760.db2.gz ZFDGYFJTTUTLRC-UHFFFAOYSA-N 2 1 337.471 3.681 50 0 EHAAMP c1cnc2c(c1)cccc2C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000055107546 214273680 /nfs/dbraw/zinc/27/36/80/214273680.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 2 1 335.495 3.933 50 0 EHAAMP c1cnc2c(c1)cccc2C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000055107546 214273685 /nfs/dbraw/zinc/27/36/85/214273685.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 2 1 335.495 3.933 50 0 EHAAMP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000055107546 214273687 /nfs/dbraw/zinc/27/36/87/214273687.db2.gz OGZAYDCPSWULBY-QFIPXVFZSA-N 2 1 335.495 3.933 50 0 EHAAMP [NH3+]CCc1cccc(C[N@@H+]2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077454169 563969790 /nfs/dbraw/zinc/96/97/90/563969790.db2.gz CGQJZNDDLJLMSQ-IBGZPJMESA-N 2 1 338.430 3.540 50 0 EHAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077454169 563969791 /nfs/dbraw/zinc/96/97/91/563969791.db2.gz CGQJZNDDLJLMSQ-IBGZPJMESA-N 2 1 338.430 3.540 50 0 EHAAMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4cc5ccccc5o4)[C@@H]3C2)cc[nH+]1 ZINC000082155924 563972744 /nfs/dbraw/zinc/97/27/44/563972744.db2.gz CDMGTVVLKUAQHJ-FXAWDEMLSA-N 2 1 333.435 3.847 50 0 EHAAMP CC(C)(C)C[N@H+]1CCC[C@]2(CCN(Cc3cccc4c3OCO4)C2)C1 ZINC000012072616 1129326540 /nfs/dbraw/zinc/32/65/40/1129326540.db2.gz ICZJQRUEDXIZEF-OAQYLSRUSA-N 2 1 344.499 3.749 50 0 EHAAMP Cc1c[nH+]c([C@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575317504 1131541308 /nfs/dbraw/zinc/54/13/08/1131541308.db2.gz LNHZAOQULGGPML-IBGZPJMESA-N 2 1 332.451 3.624 50 0 EHAAMP Cc1c[nH+]c([C@H]2CC[N@@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575317504 1131541310 /nfs/dbraw/zinc/54/13/10/1131541310.db2.gz LNHZAOQULGGPML-IBGZPJMESA-N 2 1 332.451 3.624 50 0 EHAAMP COc1cccc(C[N@@H+]2CCC[C@H](Cn3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000581807551 1132369264 /nfs/dbraw/zinc/36/92/64/1132369264.db2.gz ONFOTELXFLLCRH-SFHVURJKSA-N 2 1 339.483 3.990 50 0 EHAAMP COc1cccc(C[N@H+]2CCC[C@H](Cn3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000581807551 1132369271 /nfs/dbraw/zinc/36/92/71/1132369271.db2.gz ONFOTELXFLLCRH-SFHVURJKSA-N 2 1 339.483 3.990 50 0 EHAAMP C[NH+](C)CCOc1cccc(C[N@@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC000585084625 1136977499 /nfs/dbraw/zinc/97/74/99/1136977499.db2.gz RWKFWFKDZWWOJG-UHFFFAOYSA-N 2 1 337.467 3.740 50 0 EHAAMP C(=C\C[N@H+]1CCc2sccc2C1)\CN1CCc2sccc2C1 ZINC000222110250 1137180895 /nfs/dbraw/zinc/18/08/95/1137180895.db2.gz XYLADRIERMMLMQ-UPHRSURJSA-N 2 1 330.522 3.782 50 0 EHAAMP C(=C\CN1CCc2sccc2C1)\CN1CCc2sccc2C1 ZINC000222110250 1137180896 /nfs/dbraw/zinc/18/08/96/1137180896.db2.gz XYLADRIERMMLMQ-UPHRSURJSA-N 2 1 330.522 3.782 50 0 EHAAMP Cc1cc(N2CCC[N@@H+](C/C=C/c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000216113819 241167773 /nfs/dbraw/zinc/16/77/73/241167773.db2.gz PQBAECMYOVQJMC-DUXPYHPUSA-N 2 1 325.431 3.755 50 0 EHAAMP Cc1ccc(NC[C@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)nc1 ZINC000065466241 563998216 /nfs/dbraw/zinc/99/82/16/563998216.db2.gz LLPFKIWGROQBEG-OAHLLOKOSA-N 2 1 328.460 3.610 50 0 EHAAMP Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)nc1 ZINC000065466241 563998217 /nfs/dbraw/zinc/99/82/17/563998217.db2.gz LLPFKIWGROQBEG-OAHLLOKOSA-N 2 1 328.460 3.610 50 0 EHAAMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c1C ZINC000015069242 564053222 /nfs/dbraw/zinc/05/32/22/564053222.db2.gz KPHAEXZKMMCYLT-HXUWFJFHSA-N 2 1 346.563 3.710 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H](C)C[N@H+](C)Cc1ccccc1Br ZINC000089735521 564113429 /nfs/dbraw/zinc/11/34/29/564113429.db2.gz ZZXZRPQNXIORCY-ZDUSSCGKSA-N 2 1 336.277 3.722 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H](C)C[N@@H+](C)Cc1ccccc1Br ZINC000089735521 564113430 /nfs/dbraw/zinc/11/34/30/564113430.db2.gz ZZXZRPQNXIORCY-ZDUSSCGKSA-N 2 1 336.277 3.722 50 0 EHAAMP Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000095967201 564143046 /nfs/dbraw/zinc/14/30/46/564143046.db2.gz UJBZULNMUZYWDH-UHFFFAOYSA-N 2 1 326.459 3.931 50 0 EHAAMP Cc1ccccc1C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095967586 564143055 /nfs/dbraw/zinc/14/30/55/564143055.db2.gz YPFMKPZDENFZSL-LJQANCHMSA-N 2 1 337.511 3.618 50 0 EHAAMP Cc1cc(N2CCC[N@H+](Cc3coc(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC000072135366 216024049 /nfs/dbraw/zinc/02/40/49/216024049.db2.gz XREYAWZKYKUZSI-UHFFFAOYSA-N 2 1 348.450 3.757 50 0 EHAAMP Cc1cc(N2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC000072135366 216024052 /nfs/dbraw/zinc/02/40/52/216024052.db2.gz XREYAWZKYKUZSI-UHFFFAOYSA-N 2 1 348.450 3.757 50 0 EHAAMP CC(C)[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012443775 211384763 /nfs/dbraw/zinc/38/47/63/211384763.db2.gz VCTVGINVQRVCKM-FQEVSTJZSA-N 2 1 348.506 3.927 50 0 EHAAMP C[N@@H+](Cc1ccccc1-n1cccn1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000063846518 563956123 /nfs/dbraw/zinc/95/61/23/563956123.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 2 1 338.499 3.569 50 0 EHAAMP C[N@H+](Cc1ccccc1-n1cccn1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000063846518 563956124 /nfs/dbraw/zinc/95/61/24/563956124.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 2 1 338.499 3.569 50 0 EHAAMP C[NH+](Cc1ccccc1-n1cccn1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000063846518 563956126 /nfs/dbraw/zinc/95/61/26/563956126.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 2 1 338.499 3.569 50 0 EHAAMP C[NH+](Cc1ccccc1-n1cccn1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000063846518 563956127 /nfs/dbraw/zinc/95/61/27/563956127.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 2 1 338.499 3.569 50 0 EHAAMP COc1ccccc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000006667577 564014923 /nfs/dbraw/zinc/01/49/23/564014923.db2.gz CJZAZAWDSSMGMI-UHFFFAOYSA-N 2 1 338.495 3.534 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801733 564086584 /nfs/dbraw/zinc/08/65/84/564086584.db2.gz UKYRPYRAXXZEAT-LPHOPBHVSA-N 2 1 347.466 3.505 50 0 EHAAMP C[C@@H]1CCCC[N@H+]1C1CN(Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000822409510 1130991750 /nfs/dbraw/zinc/99/17/50/1130991750.db2.gz BIJJDPQUBPNVJV-QGZVFWFLSA-N 2 1 347.572 3.793 50 0 EHAAMP OC1(CCC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000630061454 1137299041 /nfs/dbraw/zinc/29/90/41/1137299041.db2.gz XGXKOTADXMSFJW-AZUAARDMSA-N 2 1 328.500 3.639 50 0 EHAAMP OC1(CCC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000630061454 1137299043 /nfs/dbraw/zinc/29/90/43/1137299043.db2.gz XGXKOTADXMSFJW-AZUAARDMSA-N 2 1 328.500 3.639 50 0 EHAAMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000129372945 223049082 /nfs/dbraw/zinc/04/90/82/223049082.db2.gz LZTPYZUNFXVPAW-HUUCEWRRSA-N 2 1 338.377 3.786 50 0 EHAAMP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)CC=C(C)C)C1 ZINC000012467886 211390244 /nfs/dbraw/zinc/39/02/44/211390244.db2.gz JZJTXJIGQBEGOY-LJQANCHMSA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)CC=C(C)C)C1 ZINC000012467886 211390247 /nfs/dbraw/zinc/39/02/47/211390247.db2.gz JZJTXJIGQBEGOY-LJQANCHMSA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC000012467886 211390251 /nfs/dbraw/zinc/39/02/51/211390251.db2.gz JZJTXJIGQBEGOY-LJQANCHMSA-N 2 1 330.516 3.848 50 0 EHAAMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccs1 ZINC000095420847 218362095 /nfs/dbraw/zinc/36/20/95/218362095.db2.gz XJZVPKOTIVVMQM-HOTGVXAUSA-N 2 1 330.497 3.820 50 0 EHAAMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccs1 ZINC000095420847 218362098 /nfs/dbraw/zinc/36/20/98/218362098.db2.gz XJZVPKOTIVVMQM-HOTGVXAUSA-N 2 1 330.497 3.820 50 0 EHAAMP COc1ccc(C[N@H+](C)Cc2ccnc(C)c2)cc1C[NH+]1CCCC1 ZINC000215940358 564033700 /nfs/dbraw/zinc/03/37/00/564033700.db2.gz XDRLRZSTKCNTKK-UHFFFAOYSA-N 2 1 339.483 3.626 50 0 EHAAMP COc1ccc(C[N@@H+](C)Cc2ccnc(C)c2)cc1C[NH+]1CCCC1 ZINC000215940358 564033701 /nfs/dbraw/zinc/03/37/01/564033701.db2.gz XDRLRZSTKCNTKK-UHFFFAOYSA-N 2 1 339.483 3.626 50 0 EHAAMP CC(C)c1ccc(C2(O)CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)cc1 ZINC000253417336 564130824 /nfs/dbraw/zinc/13/08/24/564130824.db2.gz VGOSAKWTIWGWRE-UHFFFAOYSA-N 2 1 342.527 3.792 50 0 EHAAMP Cc1c[nH+]c(C2CCOCC2)n1CC1C[NH+](C2CCCCCC2)C1 ZINC000581808204 1132370434 /nfs/dbraw/zinc/37/04/34/1132370434.db2.gz YNUKTGVPLXFFJK-UHFFFAOYSA-N 2 1 331.504 3.740 50 0 EHAAMP C[N@H+](Cc1ccccc1C[NH+]1CCCC1)C[C@H]1CCOC(C)(C)C1 ZINC000215081047 241105845 /nfs/dbraw/zinc/10/58/45/241105845.db2.gz JDCICIYKVMCOKG-SFHVURJKSA-N 2 1 330.516 3.919 50 0 EHAAMP Cc1ccsc1C[N@H+](C)CC1(c2ccc(C)cn2)CC[NH2+]CC1 ZINC000065452482 563961054 /nfs/dbraw/zinc/96/10/54/563961054.db2.gz YOBPDHXNRXDCMA-UHFFFAOYSA-N 2 1 329.513 3.513 50 0 EHAAMP COc1ccc(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)c(F)c1F ZINC000077456017 563969755 /nfs/dbraw/zinc/96/97/55/563969755.db2.gz KCQZVNPMWMNWLF-UHFFFAOYSA-N 2 1 338.442 3.671 50 0 EHAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000095967534 564034048 /nfs/dbraw/zinc/03/40/48/564034048.db2.gz VVRJVEBKDAHHAI-HLNSBACISA-N 2 1 338.442 3.984 50 0 EHAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575545562 1131568186 /nfs/dbraw/zinc/56/81/86/1131568186.db2.gz IFKGPRSHQPJRPZ-SFHVURJKSA-N 2 1 327.472 3.675 50 0 EHAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000575545562 1131568191 /nfs/dbraw/zinc/56/81/91/1131568191.db2.gz IFKGPRSHQPJRPZ-SFHVURJKSA-N 2 1 327.472 3.675 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000581815379 1132372589 /nfs/dbraw/zinc/37/25/89/1132372589.db2.gz APRZHIPXYDZJHM-IBGZPJMESA-N 2 1 333.520 3.673 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000581815379 1132372597 /nfs/dbraw/zinc/37/25/97/1132372597.db2.gz APRZHIPXYDZJHM-IBGZPJMESA-N 2 1 333.520 3.673 50 0 EHAAMP C[NH+](C)Cc1csc(C[N@@H+](C)Cc2cccc3ncccc23)c1 ZINC000072121654 216015125 /nfs/dbraw/zinc/01/51/25/216015125.db2.gz KVJNTZPTCRSYRM-UHFFFAOYSA-N 2 1 325.481 3.990 50 0 EHAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](COc3ccccc3F)C2)c1 ZINC000072411266 216204161 /nfs/dbraw/zinc/20/41/61/216204161.db2.gz RFEPKWBZRRUFPX-LJQANCHMSA-N 2 1 342.458 3.618 50 0 EHAAMP COc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1C[NH+]1CCCC1 ZINC000215178456 241111285 /nfs/dbraw/zinc/11/12/85/241111285.db2.gz RAYXAAPSIYSZHC-KRWDZBQOSA-N 2 1 339.483 3.879 50 0 EHAAMP COc1ccccc1C[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000219328787 241382606 /nfs/dbraw/zinc/38/26/06/241382606.db2.gz SMIHSZJQANMAFG-UHFFFAOYSA-N 2 1 330.497 3.985 50 0 EHAAMP COc1ccccc1C[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000219328787 241382611 /nfs/dbraw/zinc/38/26/11/241382611.db2.gz SMIHSZJQANMAFG-UHFFFAOYSA-N 2 1 330.497 3.985 50 0 EHAAMP Cc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000095421737 218364321 /nfs/dbraw/zinc/36/43/21/218364321.db2.gz LTICTGBJWWXOFW-PKOBYXMFSA-N 2 1 343.540 3.696 50 0 EHAAMP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000129846277 534412603 /nfs/dbraw/zinc/41/26/03/534412603.db2.gz WDXMOROHCUQYNZ-JKSUJKDBSA-N 2 1 348.453 3.732 50 0 EHAAMP c1ccc(NC[C@H]2CC[N@H+](CCCc3nc4ccccc4o3)C2)nc1 ZINC000065466336 563998197 /nfs/dbraw/zinc/99/81/97/563998197.db2.gz ZUSWUSLUCODNNH-MRXNPFEDSA-N 2 1 336.439 3.589 50 0 EHAAMP Cc1ccc(NC[C@@H]2CC[N@H+](Cc3ncc(C(C)(C)C)o3)C2)nc1 ZINC000065466237 563998225 /nfs/dbraw/zinc/99/82/25/563998225.db2.gz LLPFKIWGROQBEG-HNNXBMFYSA-N 2 1 328.460 3.610 50 0 EHAAMP Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ncc(C(C)(C)C)o3)C2)nc1 ZINC000065466237 563998226 /nfs/dbraw/zinc/99/82/26/563998226.db2.gz LLPFKIWGROQBEG-HNNXBMFYSA-N 2 1 328.460 3.610 50 0 EHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncc(F)c3)CC2)cs1 ZINC000095422300 564140048 /nfs/dbraw/zinc/14/00/48/564140048.db2.gz MQKJYZHMSLVJCE-CYBMUJFWSA-N 2 1 348.491 3.548 50 0 EHAAMP C[C@@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000004030555 210104291 /nfs/dbraw/zinc/10/42/91/210104291.db2.gz MHODNBZBPRFJBM-SFHVURJKSA-N 2 1 332.532 3.613 50 0 EHAAMP Cc1ccc([C@@H](C)CC[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)o1 ZINC000215041123 241101908 /nfs/dbraw/zinc/10/19/08/241101908.db2.gz MDTLHDMDMZIYFT-INIZCTEOSA-N 2 1 327.472 3.997 50 0 EHAAMP Cn1ccnc1CCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216524066 241199588 /nfs/dbraw/zinc/19/95/88/241199588.db2.gz HNTHAXJPGGNYCM-UHFFFAOYSA-N 2 1 346.544 3.532 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216524066 241199595 /nfs/dbraw/zinc/19/95/95/241199595.db2.gz HNTHAXJPGGNYCM-UHFFFAOYSA-N 3 1 346.544 3.532 50 0 EHAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216524066 241199602 /nfs/dbraw/zinc/19/96/02/241199602.db2.gz HNTHAXJPGGNYCM-UHFFFAOYSA-N 3 1 346.544 3.532 50 0 EHAAMP c1ccc(C[NH+]2CCN(CC[N@H+]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000244719125 243070427 /nfs/dbraw/zinc/07/04/27/243070427.db2.gz LXLPRETVLCRJAS-HSZRJFAPSA-N 2 1 349.522 3.641 50 0 EHAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)cc(C)[nH+]1 ZINC000091440188 218005892 /nfs/dbraw/zinc/00/58/92/218005892.db2.gz UIRALBPPLUHFKM-UHFFFAOYSA-N 2 1 347.466 3.722 50 0 EHAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065395450 563959634 /nfs/dbraw/zinc/95/96/34/563959634.db2.gz NVJJNKJJWKYCDU-INIZCTEOSA-N 2 1 348.450 3.606 50 0 EHAAMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000290259767 1021006481 /nfs/dbraw/zinc/00/64/81/1021006481.db2.gz KMSYBANIBNSNMQ-BQJIDLTASA-N 2 1 343.515 3.529 50 0 EHAAMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000290259767 1021006486 /nfs/dbraw/zinc/00/64/86/1021006486.db2.gz KMSYBANIBNSNMQ-BQJIDLTASA-N 2 1 343.515 3.529 50 0 EHAAMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OCCC(C)C)c(OC)c1 ZINC000004686976 210248012 /nfs/dbraw/zinc/24/80/12/210248012.db2.gz CHLQZVKRUXFPTM-UHFFFAOYSA-N 2 1 336.520 3.942 50 0 EHAAMP C[C@H](CCCC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000004030556 210105000 /nfs/dbraw/zinc/10/50/00/210105000.db2.gz MHODNBZBPRFJBM-GOSISDBHSA-N 2 1 332.532 3.613 50 0 EHAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067802840 215214879 /nfs/dbraw/zinc/21/48/79/215214879.db2.gz MQOCCWHTKUNHDG-UHFFFAOYSA-N 3 1 338.499 3.583 50 0 EHAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](COc3ccccc3F)C2)c1 ZINC000072411267 216204359 /nfs/dbraw/zinc/20/43/59/216204359.db2.gz RFEPKWBZRRUFPX-IBGZPJMESA-N 2 1 342.458 3.618 50 0 EHAAMP Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3cccc(O)c3)CC2)[nH+]1 ZINC000072477138 216256045 /nfs/dbraw/zinc/25/60/45/216256045.db2.gz JBHDVTMRYBRVOU-UHFFFAOYSA-N 2 1 337.467 3.731 50 0 EHAAMP Cc1cccc(N2CCC3(CCC[N@H+]3Cc3cccc(O)c3)CC2)[nH+]1 ZINC000072477138 216256048 /nfs/dbraw/zinc/25/60/48/216256048.db2.gz JBHDVTMRYBRVOU-UHFFFAOYSA-N 2 1 337.467 3.731 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230182020 242244731 /nfs/dbraw/zinc/24/47/31/242244731.db2.gz SYUCJALZQFKSLM-NDSDBLNTSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000230182020 242244732 /nfs/dbraw/zinc/24/47/32/242244732.db2.gz SYUCJALZQFKSLM-NDSDBLNTSA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cc(C)[nH+]1 ZINC000091441375 218006020 /nfs/dbraw/zinc/00/60/20/218006020.db2.gz YBFRVMHTMNYSPH-IBGZPJMESA-N 2 1 347.466 3.722 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077541746 563970257 /nfs/dbraw/zinc/97/02/57/563970257.db2.gz FOYPLVUPKVKTKO-SFHVURJKSA-N 2 1 349.482 3.888 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000077541746 563970258 /nfs/dbraw/zinc/97/02/58/563970258.db2.gz FOYPLVUPKVKTKO-SFHVURJKSA-N 2 1 349.482 3.888 50 0 EHAAMP c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC000096141982 563979537 /nfs/dbraw/zinc/97/95/37/563979537.db2.gz XOTVKMCIQFOIQK-UHFFFAOYSA-N 2 1 336.479 3.782 50 0 EHAAMP Cc1ccc(N2CCC([NH2+]Cc3cnc(C4CCC4)s3)CC2)[nH+]c1 ZINC000089652289 564112956 /nfs/dbraw/zinc/11/29/56/564112956.db2.gz CXOHPTCXXAMFDD-UHFFFAOYSA-N 2 1 342.512 3.873 50 0 EHAAMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccn1 ZINC000252486365 564119364 /nfs/dbraw/zinc/11/93/64/564119364.db2.gz JKXPPPBNQXGMSF-PCCBWWKXSA-N 2 1 345.531 3.526 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000575317571 1131541644 /nfs/dbraw/zinc/54/16/44/1131541644.db2.gz NVEDWUHMBKAWDB-HXUWFJFHSA-N 2 1 341.499 3.601 50 0 EHAAMP COCCn1c(C)c[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000575317571 1131541647 /nfs/dbraw/zinc/54/16/47/1131541647.db2.gz NVEDWUHMBKAWDB-HXUWFJFHSA-N 2 1 341.499 3.601 50 0 EHAAMP Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000216235623 241174070 /nfs/dbraw/zinc/17/40/70/241174070.db2.gz QADNQTNQRYRWPC-HNNXBMFYSA-N 2 1 332.517 3.877 50 0 EHAAMP Cc1n[nH]c(C)c1[C@H](C)[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000216235623 241174078 /nfs/dbraw/zinc/17/40/78/241174078.db2.gz QADNQTNQRYRWPC-HNNXBMFYSA-N 2 1 332.517 3.877 50 0 EHAAMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000129846690 534408281 /nfs/dbraw/zinc/40/82/81/534408281.db2.gz WDXMOROHCUQYNZ-HZPDHXFCSA-N 2 1 348.453 3.732 50 0 EHAAMP C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000244894030 564052323 /nfs/dbraw/zinc/05/23/23/564052323.db2.gz YYSCVZPXYYWMJP-QGZVFWFLSA-N 2 1 347.572 3.793 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545399 1131568134 /nfs/dbraw/zinc/56/81/34/1131568134.db2.gz LKVKOKHHFWVEME-SFHVURJKSA-N 2 1 327.447 3.805 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545399 1131568137 /nfs/dbraw/zinc/56/81/37/1131568137.db2.gz LKVKOKHHFWVEME-SFHVURJKSA-N 2 1 327.447 3.805 50 0 EHAAMP CCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1C ZINC000067676496 215182632 /nfs/dbraw/zinc/18/26/32/215182632.db2.gz JBTRDMFLECMCAB-OAQYLSRUSA-N 2 1 344.547 3.608 50 0 EHAAMP CCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c1C ZINC000067676496 215182635 /nfs/dbraw/zinc/18/26/35/215182635.db2.gz JBTRDMFLECMCAB-OAQYLSRUSA-N 2 1 344.547 3.608 50 0 EHAAMP CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1C ZINC000067676496 215182638 /nfs/dbraw/zinc/18/26/38/215182638.db2.gz JBTRDMFLECMCAB-OAQYLSRUSA-N 2 1 344.547 3.608 50 0 EHAAMP CCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c1C ZINC000067676496 215182641 /nfs/dbraw/zinc/18/26/41/215182641.db2.gz JBTRDMFLECMCAB-OAQYLSRUSA-N 2 1 344.547 3.608 50 0 EHAAMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745408 212060238 /nfs/dbraw/zinc/06/02/38/212060238.db2.gz GYPJMDVGBNXTFW-YKRMCXMESA-N 2 1 349.950 3.614 50 0 EHAAMP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000091459979 218009524 /nfs/dbraw/zinc/00/95/24/218009524.db2.gz SBQOPFSVPVJZKR-LJQANCHMSA-N 2 1 338.499 3.501 50 0 EHAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000091459979 218009527 /nfs/dbraw/zinc/00/95/27/218009527.db2.gz SBQOPFSVPVJZKR-LJQANCHMSA-N 2 1 338.499 3.501 50 0 EHAAMP CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C[NH+](C)C)cs1)C2 ZINC000091738085 218055706 /nfs/dbraw/zinc/05/57/06/218055706.db2.gz ANTLEGXXQKJRFO-PKOBYXMFSA-N 2 1 347.572 3.672 50 0 EHAAMP CC(C)[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071589623 563964630 /nfs/dbraw/zinc/96/46/30/563964630.db2.gz ASMMIGBIDVQHHK-LJQANCHMSA-N 2 1 336.907 3.834 50 0 EHAAMP CCc1nccc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000215678741 564033624 /nfs/dbraw/zinc/03/36/24/564033624.db2.gz KCDDFCUZIUCSNV-FQEVSTJZSA-N 2 1 338.499 3.828 50 0 EHAAMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(-c3ccccc3)cs2)CC1 ZINC000170606902 564109576 /nfs/dbraw/zinc/10/95/76/564109576.db2.gz ACDZXICZJKICDT-UHFFFAOYSA-N 2 1 327.497 3.870 50 0 EHAAMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(-c3ccccc3)cs2)CC1 ZINC000170606902 564109577 /nfs/dbraw/zinc/10/95/77/564109577.db2.gz ACDZXICZJKICDT-UHFFFAOYSA-N 2 1 327.497 3.870 50 0 EHAAMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968188 564143181 /nfs/dbraw/zinc/14/31/81/564143181.db2.gz CWKXMYHQGYPPCU-UKRRQHHQSA-N 2 1 342.936 3.943 50 0 EHAAMP Cc1cnc([C@H]2CC[N@@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791953 1032661701 /nfs/dbraw/zinc/66/17/01/1032661701.db2.gz STEKGVIJRAHVIK-FQEVSTJZSA-N 2 1 332.451 3.624 50 0 EHAAMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C)c3ccccc3)CC2)oc1C ZINC000194380454 1026239735 /nfs/dbraw/zinc/23/97/35/1026239735.db2.gz IHSQDMYWDFFMMP-INIZCTEOSA-N 2 1 341.499 3.897 50 0 EHAAMP OC1(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000630061456 1137299031 /nfs/dbraw/zinc/29/90/31/1137299031.db2.gz XGXKOTADXMSFJW-QUCCMNQESA-N 2 1 328.500 3.639 50 0 EHAAMP OC1(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000630061456 1137299033 /nfs/dbraw/zinc/29/90/33/1137299033.db2.gz XGXKOTADXMSFJW-QUCCMNQESA-N 2 1 328.500 3.639 50 0 EHAAMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654199 219044334 /nfs/dbraw/zinc/04/43/34/219044334.db2.gz OMNUJLIHFVINGN-GOSISDBHSA-N 2 1 347.572 3.618 50 0 EHAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654199 219044335 /nfs/dbraw/zinc/04/43/35/219044335.db2.gz OMNUJLIHFVINGN-GOSISDBHSA-N 2 1 347.572 3.618 50 0 EHAAMP C[N@H+](Cc1ccc2cccc(O)c2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067758287 215206037 /nfs/dbraw/zinc/20/60/37/215206037.db2.gz IFCURHWODYPBQI-UHFFFAOYSA-N 2 1 327.472 3.681 50 0 EHAAMP C[N@@H+](Cc1ccc2cccc(O)c2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067758287 215206040 /nfs/dbraw/zinc/20/60/40/215206040.db2.gz IFCURHWODYPBQI-UHFFFAOYSA-N 2 1 327.472 3.681 50 0 EHAAMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000067975616 215265202 /nfs/dbraw/zinc/26/52/02/215265202.db2.gz ZGWYVQWRGBFPLO-QGZVFWFLSA-N 2 1 334.467 3.562 50 0 EHAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072164945 216054560 /nfs/dbraw/zinc/05/45/60/216054560.db2.gz GCMAUOMMBFGCJE-LJQANCHMSA-N 2 1 348.494 3.519 50 0 EHAAMP C[NH+]1CCC([NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000013165271 564136120 /nfs/dbraw/zinc/13/61/20/564136120.db2.gz ADALDZPUHJXOAI-HXUWFJFHSA-N 2 1 333.479 3.984 50 0 EHAAMP CC(C)C[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2CC(C)C)CC1 ZINC000257196858 1038563153 /nfs/dbraw/zinc/56/31/53/1038563153.db2.gz YZPNJKRPHNPQGF-LJQANCHMSA-N 2 1 332.536 3.654 50 0 EHAAMP CC(C)C[NH+]1CCC([C@@H]2c3nccn3CCC[N@@H+]2CC(C)C)CC1 ZINC000257196858 1038563157 /nfs/dbraw/zinc/56/31/57/1038563157.db2.gz YZPNJKRPHNPQGF-LJQANCHMSA-N 2 1 332.536 3.654 50 0 EHAAMP OC1(CCC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000630061457 1137298964 /nfs/dbraw/zinc/29/89/64/1137298964.db2.gz XGXKOTADXMSFJW-UYAOXDASSA-N 2 1 328.500 3.639 50 0 EHAAMP OC1(CCC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000630061457 1137298966 /nfs/dbraw/zinc/29/89/66/1137298966.db2.gz XGXKOTADXMSFJW-UYAOXDASSA-N 2 1 328.500 3.639 50 0 EHAAMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000067675637 215180536 /nfs/dbraw/zinc/18/05/36/215180536.db2.gz HSFWUWIRHQYRFR-AZUAARDMSA-N 2 1 338.499 3.773 50 0 EHAAMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000067675637 215180539 /nfs/dbraw/zinc/18/05/39/215180539.db2.gz HSFWUWIRHQYRFR-AZUAARDMSA-N 2 1 338.499 3.773 50 0 EHAAMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000067675637 215180543 /nfs/dbraw/zinc/18/05/43/215180543.db2.gz HSFWUWIRHQYRFR-AZUAARDMSA-N 2 1 338.499 3.773 50 0 EHAAMP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000067675637 215180544 /nfs/dbraw/zinc/18/05/44/215180544.db2.gz HSFWUWIRHQYRFR-AZUAARDMSA-N 2 1 338.499 3.773 50 0 EHAAMP C[N@H+](Cc1ccncc1)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012436026 211379201 /nfs/dbraw/zinc/37/92/01/211379201.db2.gz JEVNBGYTJYJECJ-UHFFFAOYSA-N 2 1 341.474 3.607 50 0 EHAAMP Cc1c(C)n(C2CCCCC2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000009485691 211089903 /nfs/dbraw/zinc/08/99/03/211089903.db2.gz BKBJMFOXUTVOCN-UHFFFAOYSA-N 2 1 329.492 3.917 50 0 EHAAMP CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000095374649 218307634 /nfs/dbraw/zinc/30/76/34/218307634.db2.gz YPMJVCIDHIDBIO-PKOBYXMFSA-N 2 1 347.572 3.650 50 0 EHAAMP CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000095374649 218307636 /nfs/dbraw/zinc/30/76/36/218307636.db2.gz YPMJVCIDHIDBIO-PKOBYXMFSA-N 2 1 347.572 3.650 50 0 EHAAMP CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000095374649 218307638 /nfs/dbraw/zinc/30/76/38/218307638.db2.gz YPMJVCIDHIDBIO-PKOBYXMFSA-N 2 1 347.572 3.650 50 0 EHAAMP CCn1cc(C[N@H+](CC)Cc2ccc(C[NH+]3CCCCC3)s2)cn1 ZINC000215676519 564033608 /nfs/dbraw/zinc/03/36/08/564033608.db2.gz WCAGZQNQYRVFNF-UHFFFAOYSA-N 2 1 346.544 3.973 50 0 EHAAMP CCn1cc(C[N@@H+](CC)Cc2ccc(C[NH+]3CCCCC3)s2)cn1 ZINC000215676519 564033609 /nfs/dbraw/zinc/03/36/09/564033609.db2.gz WCAGZQNQYRVFNF-UHFFFAOYSA-N 2 1 346.544 3.973 50 0 EHAAMP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccn1 ZINC000252486368 564119370 /nfs/dbraw/zinc/11/93/70/564119370.db2.gz JKXPPPBNQXGMSF-PWRODBHTSA-N 2 1 345.531 3.526 50 0 EHAAMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253370273 564130303 /nfs/dbraw/zinc/13/03/03/564130303.db2.gz OMRORPZRNPOTMS-OALUTQOASA-N 2 1 345.556 3.583 50 0 EHAAMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C)c3ccccc3)CC2)oc1C ZINC000194380442 1026239399 /nfs/dbraw/zinc/23/93/99/1026239399.db2.gz IHSQDMYWDFFMMP-MRXNPFEDSA-N 2 1 341.499 3.897 50 0 EHAAMP COc1cccc(C[N@@H+]2CCC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575544687 1131568585 /nfs/dbraw/zinc/56/85/85/1131568585.db2.gz ALRGZUHYOINNKC-GOSISDBHSA-N 2 1 325.456 3.915 50 0 EHAAMP COc1cccc(C[N@H+]2CCC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575544687 1131568588 /nfs/dbraw/zinc/56/85/88/1131568588.db2.gz ALRGZUHYOINNKC-GOSISDBHSA-N 2 1 325.456 3.915 50 0 EHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575544784 1131568629 /nfs/dbraw/zinc/56/86/29/1131568629.db2.gz BHNUUWIJPIZOQR-FQEVSTJZSA-N 2 1 346.478 3.699 50 0 EHAAMP Cc1cc(C[NH+]2CCCC2)cc(C)c1Oc1cncc(C[NH+](C)C)n1 ZINC000067789009 215214212 /nfs/dbraw/zinc/21/42/12/215214212.db2.gz FYWRBWVBQFSTHV-UHFFFAOYSA-N 2 1 340.471 3.543 50 0 EHAAMP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091624979 218033383 /nfs/dbraw/zinc/03/33/83/218033383.db2.gz SSVUMOKJOUVBTF-NRFANRHFSA-N 2 1 335.495 3.783 50 0 EHAAMP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000092081313 218117710 /nfs/dbraw/zinc/11/77/10/218117710.db2.gz XSOOLSQOCWPWHD-GOSISDBHSA-N 2 1 341.524 3.845 50 0 EHAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000092081313 218117712 /nfs/dbraw/zinc/11/77/12/218117712.db2.gz XSOOLSQOCWPWHD-GOSISDBHSA-N 2 1 341.524 3.845 50 0 EHAAMP COc1cccc([C@@H](C[C@H]2CCCO2)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000095419584 218359152 /nfs/dbraw/zinc/35/91/52/218359152.db2.gz WCEAMROCDLHDPD-NHCUHLMSSA-N 2 1 344.499 3.522 50 0 EHAAMP Cc1[nH+]c(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c2ccccn12 ZINC000071416090 563964367 /nfs/dbraw/zinc/96/43/67/563964367.db2.gz OTSJHUJQJPPEJO-NRFANRHFSA-N 2 1 340.515 3.585 50 0 EHAAMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cccc(CC[NH3+])c3)nc2c1 ZINC000077505538 563970123 /nfs/dbraw/zinc/97/01/23/563970123.db2.gz WKIAWRLTGQAZTG-FQEVSTJZSA-N 2 1 334.467 3.710 50 0 EHAAMP Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cccc(CC[NH3+])c3)nc2c1 ZINC000077505538 563970124 /nfs/dbraw/zinc/97/01/24/563970124.db2.gz WKIAWRLTGQAZTG-FQEVSTJZSA-N 2 1 334.467 3.710 50 0 EHAAMP Cc1ccc2nc([C@@H]3CCC[N@@H+]3Cc3cccc(CC[NH3+])c3)[nH]c2c1 ZINC000077505538 563970126 /nfs/dbraw/zinc/97/01/26/563970126.db2.gz WKIAWRLTGQAZTG-FQEVSTJZSA-N 2 1 334.467 3.710 50 0 EHAAMP Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3cccc(CC[NH3+])c3)[nH]c2c1 ZINC000077505538 563970127 /nfs/dbraw/zinc/97/01/27/563970127.db2.gz WKIAWRLTGQAZTG-FQEVSTJZSA-N 2 1 334.467 3.710 50 0 EHAAMP CCc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000077537578 563970252 /nfs/dbraw/zinc/97/02/52/563970252.db2.gz BVDGIURJYNXOGG-OAHLLOKOSA-N 2 1 349.910 3.586 50 0 EHAAMP CCc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000077537578 563970253 /nfs/dbraw/zinc/97/02/53/563970253.db2.gz BVDGIURJYNXOGG-OAHLLOKOSA-N 2 1 349.910 3.586 50 0 EHAAMP CN(CC[N@@H+](C)C1c2ccccc2-c2ccccc21)C1CC[NH+](C)CC1 ZINC000075106311 564080118 /nfs/dbraw/zinc/08/01/18/564080118.db2.gz JDHGXSUTMVMZKY-UHFFFAOYSA-N 2 1 349.522 3.714 50 0 EHAAMP Cc1ccsc1C[N@H+]1CC[C@@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575550773 1131573337 /nfs/dbraw/zinc/57/33/37/1131573337.db2.gz XZPOWZNGSZOEFN-QGZVFWFLSA-N 2 1 345.512 3.902 50 0 EHAAMP Cc1ccsc1C[N@@H+]1CC[C@@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575550773 1131573342 /nfs/dbraw/zinc/57/33/42/1131573342.db2.gz XZPOWZNGSZOEFN-QGZVFWFLSA-N 2 1 345.512 3.902 50 0 EHAAMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429373 216221038 /nfs/dbraw/zinc/22/10/38/216221038.db2.gz XIOHRRCCAONXHC-JOCHJYFZSA-N 2 1 344.543 3.698 50 0 EHAAMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429373 216221040 /nfs/dbraw/zinc/22/10/40/216221040.db2.gz XIOHRRCCAONXHC-JOCHJYFZSA-N 2 1 344.543 3.698 50 0 EHAAMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429373 216221042 /nfs/dbraw/zinc/22/10/42/216221042.db2.gz XIOHRRCCAONXHC-JOCHJYFZSA-N 2 1 344.543 3.698 50 0 EHAAMP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000096484371 563955341 /nfs/dbraw/zinc/95/53/41/563955341.db2.gz KGEIHHUWMJPNNI-JCGIZDLHSA-N 2 1 342.462 3.597 50 0 EHAAMP c1nc(CC2CCCC2)[nH]c1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077505508 563970074 /nfs/dbraw/zinc/97/00/74/563970074.db2.gz GRZRUDPRBVEAHF-HXUWFJFHSA-N 2 1 344.547 3.983 50 0 EHAAMP Cc1noc2ncc(C[NH2+]Cc3ccccc3C[N@H+](C)C(C)C)cc12 ZINC000585136441 563971888 /nfs/dbraw/zinc/97/18/88/563971888.db2.gz GLOLYKXCKSLFSW-UHFFFAOYSA-N 2 1 338.455 3.661 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370598 564130345 /nfs/dbraw/zinc/13/03/45/564130345.db2.gz SYUCJALZQFKSLM-VVHHDAOASA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370598 564130346 /nfs/dbraw/zinc/13/03/46/564130346.db2.gz SYUCJALZQFKSLM-VVHHDAOASA-N 2 1 339.483 3.853 50 0 EHAAMP Cc1cncc(CN(C)[C@@H]2CCC[N@@H+](Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135593 /nfs/dbraw/zinc/13/55/93/564135593.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 2 1 338.499 3.580 50 0 EHAAMP C[NH+](C)Cc1cccc(C[NH2+]Cc2csc(-c3ccccn3)n2)c1 ZINC000096403682 564147211 /nfs/dbraw/zinc/14/72/11/564147211.db2.gz PMWDCNZJJGLSON-UHFFFAOYSA-N 2 1 338.480 3.557 50 0 EHAAMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000888098539 1043261133 /nfs/dbraw/zinc/26/11/33/1043261133.db2.gz KJDPCRSTPWEPIE-LLVKDONJSA-N 2 1 336.277 3.675 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000952984722 1137485379 /nfs/dbraw/zinc/48/53/79/1137485379.db2.gz MISFFKNVFGYYAZ-UHFFFAOYSA-N 2 1 335.835 3.569 50 0 EHAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000072164944 216054585 /nfs/dbraw/zinc/05/45/85/216054585.db2.gz GCMAUOMMBFGCJE-IBGZPJMESA-N 2 1 348.494 3.519 50 0 EHAAMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220866 /nfs/dbraw/zinc/22/08/66/216220866.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 2 1 344.543 3.698 50 0 EHAAMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220867 /nfs/dbraw/zinc/22/08/67/216220867.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 2 1 344.543 3.698 50 0 EHAAMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)C1 ZINC000072429372 216220871 /nfs/dbraw/zinc/22/08/71/216220871.db2.gz XIOHRRCCAONXHC-QFIPXVFZSA-N 2 1 344.543 3.698 50 0 EHAAMP COc1ccc2c(c1)CC[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000215867309 241150045 /nfs/dbraw/zinc/15/00/45/241150045.db2.gz VTQKLTDIWNADBH-UHFFFAOYSA-N 2 1 342.508 3.911 50 0 EHAAMP COc1ccc2c(c1)CC[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000215867309 241150051 /nfs/dbraw/zinc/15/00/51/241150051.db2.gz VTQKLTDIWNADBH-UHFFFAOYSA-N 2 1 342.508 3.911 50 0 EHAAMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 ZINC000019745406 212060884 /nfs/dbraw/zinc/06/08/84/212060884.db2.gz GYPJMDVGBNXTFW-RMWKRFJVSA-N 2 1 349.950 3.614 50 0 EHAAMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000004763934 210273456 /nfs/dbraw/zinc/27/34/56/210273456.db2.gz TWTOFPRZEXCURK-XYJFISCASA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004763934 210273460 /nfs/dbraw/zinc/27/34/60/210273460.db2.gz TWTOFPRZEXCURK-XYJFISCASA-N 2 1 334.504 3.645 50 0 EHAAMP CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004763934 210273464 /nfs/dbraw/zinc/27/34/64/210273464.db2.gz TWTOFPRZEXCURK-XYJFISCASA-N 2 1 334.504 3.645 50 0 EHAAMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc3nonc32)cc1 ZINC000216253054 536020147 /nfs/dbraw/zinc/02/01/47/536020147.db2.gz LLOGZNGXWNEXSM-IBGZPJMESA-N 2 1 336.439 3.622 50 0 EHAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000247135706 563885072 /nfs/dbraw/zinc/88/50/72/563885072.db2.gz VVRJVEBKDAHHAI-COCCGSRQSA-N 2 1 338.442 3.984 50 0 EHAAMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000180641670 564013503 /nfs/dbraw/zinc/01/35/03/564013503.db2.gz GLMGOLARIGOMTN-YWZLYKJASA-N 2 1 344.886 3.757 50 0 EHAAMP Cc1c[nH+]c([C@@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575317505 1031458428 /nfs/dbraw/zinc/45/84/28/1031458428.db2.gz LNHZAOQULGGPML-LJQANCHMSA-N 2 1 332.451 3.624 50 0 EHAAMP Cc1c[nH+]c([C@@H]2CC[N@@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575317505 1031458444 /nfs/dbraw/zinc/45/84/44/1031458444.db2.gz LNHZAOQULGGPML-LJQANCHMSA-N 2 1 332.451 3.624 50 0 EHAAMP C[C@@H](c1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1)[NH+](C)C ZINC000823648984 1131073557 /nfs/dbraw/zinc/07/35/57/1131073557.db2.gz MXFZMXGMLZFTPB-KRWDZBQOSA-N 2 1 343.540 3.689 50 0 EHAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000581806728 1132369674 /nfs/dbraw/zinc/36/96/74/1132369674.db2.gz WJMOBBIDYILLPQ-HNNXBMFYSA-N 2 1 333.426 3.944 50 0 EHAAMP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000091459984 218010074 /nfs/dbraw/zinc/01/00/74/218010074.db2.gz SBQOPFSVPVJZKR-IBGZPJMESA-N 2 1 338.499 3.501 50 0 EHAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC000091459984 218010076 /nfs/dbraw/zinc/01/00/76/218010076.db2.gz SBQOPFSVPVJZKR-IBGZPJMESA-N 2 1 338.499 3.501 50 0 EHAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)CC=C(C)C)C2)cc1 ZINC000011842064 211256347 /nfs/dbraw/zinc/25/63/47/211256347.db2.gz TYMXQFRNZYRIFK-FQEVSTJZSA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)CC=C(C)C)C2)cc1 ZINC000011842064 211256350 /nfs/dbraw/zinc/25/63/50/211256350.db2.gz TYMXQFRNZYRIFK-FQEVSTJZSA-N 2 1 330.516 3.848 50 0 EHAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)CC=C(C)C)C2)cc1 ZINC000011842064 211256355 /nfs/dbraw/zinc/25/63/55/211256355.db2.gz TYMXQFRNZYRIFK-FQEVSTJZSA-N 2 1 330.516 3.848 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525368 563970206 /nfs/dbraw/zinc/97/02/06/563970206.db2.gz BEEVMVBQNLGDQO-GOSISDBHSA-N 2 1 341.455 3.673 50 0 EHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525368 563970207 /nfs/dbraw/zinc/97/02/07/563970207.db2.gz BEEVMVBQNLGDQO-GOSISDBHSA-N 2 1 341.455 3.673 50 0 EHAAMP C[C@H]1CCCC[N@H+]1C1CN(Cc2ccc(C[NH+]3CCCCC3)s2)C1 ZINC000244894029 564052363 /nfs/dbraw/zinc/05/23/63/564052363.db2.gz YYSCVZPXYYWMJP-KRWDZBQOSA-N 2 1 347.572 3.793 50 0 EHAAMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960081 1137483627 /nfs/dbraw/zinc/48/36/27/1137483627.db2.gz BANAVHMDNDIBNB-SFHVURJKSA-N 2 1 338.499 3.617 50 0 EHAAMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960081 1137483628 /nfs/dbraw/zinc/48/36/28/1137483628.db2.gz BANAVHMDNDIBNB-SFHVURJKSA-N 2 1 338.499 3.617 50 0 EHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055212148 214289984 /nfs/dbraw/zinc/28/99/84/214289984.db2.gz JFXFFCDVDWDVBO-UHFFFAOYSA-N 2 1 341.434 3.716 50 0 EHAAMP C[NH+]1CCC(C2CC[NH+](Cc3c[nH]c(CC4CCCC4)n3)CC2)CC1 ZINC000072148833 216036193 /nfs/dbraw/zinc/03/61/93/216036193.db2.gz KIBOTGCPMOYAKU-UHFFFAOYSA-N 2 1 344.547 3.696 50 0 EHAAMP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000091894355 218084352 /nfs/dbraw/zinc/08/43/52/218084352.db2.gz AYILHWODKSIFLH-HXUWFJFHSA-N 2 1 335.495 3.783 50 0 EHAAMP COc1cccc([C@H](C[C@H]2CCCO2)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000095419585 218359454 /nfs/dbraw/zinc/35/94/54/218359454.db2.gz WCEAMROCDLHDPD-RTWAWAEBSA-N 2 1 344.499 3.522 50 0 EHAAMP CC(C)[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071589622 563964619 /nfs/dbraw/zinc/96/46/19/563964619.db2.gz ASMMIGBIDVQHHK-IBGZPJMESA-N 2 1 336.907 3.834 50 0 EHAAMP Cc1c(C[NH+]2CCSCC2)cccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000097232083 563970758 /nfs/dbraw/zinc/97/07/58/563970758.db2.gz OMRORPZRNPOTMS-RBUKOAKNSA-N 2 1 345.556 3.583 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000534653375 564061426 /nfs/dbraw/zinc/06/14/26/564061426.db2.gz GZMDVXMBADCMII-OAHLLOKOSA-N 2 1 339.487 3.686 50 0 EHAAMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC000055154506 214280800 /nfs/dbraw/zinc/28/08/00/214280800.db2.gz PMDSZRWYODIVQC-NRFANRHFSA-N 2 1 328.500 3.783 50 0 EHAAMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc1 ZINC000055154506 214280803 /nfs/dbraw/zinc/28/08/03/214280803.db2.gz PMDSZRWYODIVQC-NRFANRHFSA-N 2 1 328.500 3.783 50 0 EHAAMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1 ZINC000055154506 214280806 /nfs/dbraw/zinc/28/08/06/214280806.db2.gz PMDSZRWYODIVQC-NRFANRHFSA-N 2 1 328.500 3.783 50 0 EHAAMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc1 ZINC000055154506 214280809 /nfs/dbraw/zinc/28/08/09/214280809.db2.gz PMDSZRWYODIVQC-NRFANRHFSA-N 2 1 328.500 3.783 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020119314 212102726 /nfs/dbraw/zinc/10/27/26/212102726.db2.gz YHNKFBGZWZSVCW-SJLPKXTDSA-N 2 1 337.471 3.514 50 0 EHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020119314 212102729 /nfs/dbraw/zinc/10/27/29/212102729.db2.gz YHNKFBGZWZSVCW-SJLPKXTDSA-N 2 1 337.471 3.514 50 0 EHAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc3nonc32)cc1 ZINC000216253100 536020923 /nfs/dbraw/zinc/02/09/23/536020923.db2.gz LLOGZNGXWNEXSM-LJQANCHMSA-N 2 1 336.439 3.622 50 0 EHAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008376998 563628324 /nfs/dbraw/zinc/62/83/24/563628324.db2.gz WUIIAMBQPILIQF-UHFFFAOYSA-N 2 1 336.838 3.757 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1Cl ZINC000077505770 563970116 /nfs/dbraw/zinc/97/01/16/563970116.db2.gz XMNKLAGQMKQFLZ-INIZCTEOSA-N 2 1 333.863 3.995 50 0 EHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1Cl ZINC000077505770 563970117 /nfs/dbraw/zinc/97/01/17/563970117.db2.gz XMNKLAGQMKQFLZ-INIZCTEOSA-N 2 1 333.863 3.995 50 0 EHAAMP CCCc1nc(N2CCC([NH2+]CCCc3ccco3)CC2)cc(C)[nH+]1 ZINC000095496569 563977011 /nfs/dbraw/zinc/97/70/11/563977011.db2.gz VDYFDODVFZCFQX-UHFFFAOYSA-N 2 1 342.487 3.522 50 0 EHAAMP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc2[nH+]1 ZINC000089583167 564092982 /nfs/dbraw/zinc/09/29/82/564092982.db2.gz GRSHEQJUSIWHHH-LJQANCHMSA-N 2 1 347.462 3.856 50 0 EHAAMP Cc1[nH+]ccn1C[C@H](C)C[N@H+](C)Cc1ccccc1Br ZINC000089735524 564113467 /nfs/dbraw/zinc/11/34/67/564113467.db2.gz ZZXZRPQNXIORCY-CYBMUJFWSA-N 2 1 336.277 3.722 50 0 EHAAMP Cc1[nH+]ccn1C[C@H](C)C[N@@H+](C)Cc1ccccc1Br ZINC000089735524 564113468 /nfs/dbraw/zinc/11/34/68/564113468.db2.gz ZZXZRPQNXIORCY-CYBMUJFWSA-N 2 1 336.277 3.722 50 0 EHAAMP C[NH+]1CCC([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000354973013 1127215878 /nfs/dbraw/zinc/21/58/78/1127215878.db2.gz VXEAFSPENHNAEL-LJQANCHMSA-N 2 1 329.875 3.703 50 0 EHAAMP COc1cccc(C[N@@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000581807541 1132369505 /nfs/dbraw/zinc/36/95/05/1132369505.db2.gz ONFOTELXFLLCRH-GOSISDBHSA-N 2 1 339.483 3.990 50 0 EHAAMP COc1cccc(C[N@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000581807541 1132369512 /nfs/dbraw/zinc/36/95/12/1132369512.db2.gz ONFOTELXFLLCRH-GOSISDBHSA-N 2 1 339.483 3.990 50 0 EHAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC000952980570 1137484738 /nfs/dbraw/zinc/48/47/38/1137484738.db2.gz XFJXXATUTQLRDM-UHFFFAOYSA-N 2 1 325.460 3.556 50 0 EHAAMP CC(C)[N@H+]1CCC[C@H](CN(C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166421 216056093 /nfs/dbraw/zinc/05/60/93/216056093.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 2 1 349.588 3.896 50 0 EHAAMP CC(C)[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166421 216056095 /nfs/dbraw/zinc/05/60/95/216056095.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 3 1 349.588 3.896 50 0 EHAAMP CC(C)[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166421 216056099 /nfs/dbraw/zinc/05/60/99/216056099.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 3 1 349.588 3.896 50 0 EHAAMP CC(C)[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166421 216056103 /nfs/dbraw/zinc/05/61/03/216056103.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 3 1 349.588 3.896 50 0 EHAAMP CC(C)[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000072166421 216056107 /nfs/dbraw/zinc/05/61/07/216056107.db2.gz QCPDVWMBFPVMIP-GOSISDBHSA-N 3 1 349.588 3.896 50 0 EHAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250904 /nfs/dbraw/zinc/25/09/04/211250904.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 2 1 344.524 3.836 50 0 EHAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250907 /nfs/dbraw/zinc/25/09/07/211250907.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 2 1 344.524 3.836 50 0 EHAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250909 /nfs/dbraw/zinc/25/09/09/211250909.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 2 1 344.524 3.836 50 0 EHAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250911 /nfs/dbraw/zinc/25/09/11/211250911.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 2 1 344.524 3.836 50 0 EHAAMP CC1(C)C[C@H](N2CCC([NH2+]CC3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000097165812 563968523 /nfs/dbraw/zinc/96/85/23/563968523.db2.gz WNIWUMULLGDVDH-NRFANRHFSA-N 2 1 341.543 3.504 50 0 EHAAMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccs1 ZINC000108113683 564027794 /nfs/dbraw/zinc/02/77/94/564027794.db2.gz XJZVPKOTIVVMQM-HZPDHXFCSA-N 2 1 330.497 3.820 50 0 EHAAMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccs1 ZINC000108113683 564027795 /nfs/dbraw/zinc/02/77/95/564027795.db2.gz XJZVPKOTIVVMQM-HZPDHXFCSA-N 2 1 330.497 3.820 50 0 EHAAMP