smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(CN3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000775674480 580396850 /nfs/dbraw/zinc/39/68/50/580396850.db2.gz DGGMXUUXHXCLLG-UHFFFAOYSA-N 1 3 346.519 1.327 20 10 EDCDHO C[C@@H]([NH3+])C1(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCOCC1 ZINC000911668191 592974340 /nfs/dbraw/zinc/97/43/40/592974340.db2.gz VXQIRYJROWJZFT-CZUORRHYSA-N 1 3 334.464 1.013 20 10 EDCDHO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000849350828 595509566 /nfs/dbraw/zinc/50/95/66/595509566.db2.gz XPYYKQRBXJBTNN-JKSUJKDBSA-N 1 3 346.475 1.061 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852791430 595544838 /nfs/dbraw/zinc/54/48/38/595544838.db2.gz HGMRUGPNBHMUKG-HNNXBMFYSA-N 1 3 344.484 1.890 20 10 EDCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746110 596237622 /nfs/dbraw/zinc/23/76/22/596237622.db2.gz IMJFIPFBDRYHLH-GOSISDBHSA-N 1 3 331.460 1.476 20 10 EDCDHO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000835037775 595250989 /nfs/dbraw/zinc/25/09/89/595250989.db2.gz MREHBVDCGKCWBA-VDNIUXDYSA-N 1 3 344.503 1.943 20 10 EDCDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058532 595276073 /nfs/dbraw/zinc/27/60/73/595276073.db2.gz VEKMXYQQZLLKJG-GDBMZVCRSA-N 1 3 347.459 1.481 20 10 EDCDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058532 595276076 /nfs/dbraw/zinc/27/60/76/595276076.db2.gz VEKMXYQQZLLKJG-GDBMZVCRSA-N 1 3 347.459 1.481 20 10 EDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000844224222 595308524 /nfs/dbraw/zinc/30/85/24/595308524.db2.gz DLWFWUXGKDJJBL-HDICACEKSA-N 1 3 344.503 1.642 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852791754 595544752 /nfs/dbraw/zinc/54/47/52/595544752.db2.gz LTIZTINOQFOFQQ-UKRRQHHQSA-N 1 3 344.381 1.411 20 10 EDCDHO CN1CCC([N@H+](CCO)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775633240 580395737 /nfs/dbraw/zinc/39/57/37/580395737.db2.gz GIKJKSUZHCKMSJ-UHFFFAOYSA-N 1 3 346.519 1.327 20 10 EDCDHO CN1CCC([N@@H+](CCO)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775633240 580395738 /nfs/dbraw/zinc/39/57/38/580395738.db2.gz GIKJKSUZHCKMSJ-UHFFFAOYSA-N 1 3 346.519 1.327 20 10 EDCDHO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000817897417 593646620 /nfs/dbraw/zinc/64/66/20/593646620.db2.gz OMISIKXXBYUZQI-XLIONFOSSA-N 1 3 346.519 1.924 20 10 EDCDHO CCN1CCN(CCC[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893327824 590782268 /nfs/dbraw/zinc/78/22/68/590782268.db2.gz PUTGDUGRWUIFHX-UHFFFAOYSA-N 1 3 337.464 1.527 20 10 EDCDHO C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000892938802 591231429 /nfs/dbraw/zinc/23/14/29/591231429.db2.gz CSUAEFLSOIEACC-HOTGVXAUSA-N 1 3 345.491 1.330 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000841845912 594963741 /nfs/dbraw/zinc/96/37/41/594963741.db2.gz HRTWEGDHJWDTEB-ZWKOTPCHSA-N 1 3 326.444 1.611 20 10 EDCDHO COCCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCNCC1 ZINC000873224836 597232569 /nfs/dbraw/zinc/23/25/69/597232569.db2.gz NGYCPLWIONOQLV-UHFFFAOYSA-N 1 3 333.476 1.772 20 10 EDCDHO CN(C)c1ccc([C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)N(C)C)cc1 ZINC000902519309 592009901 /nfs/dbraw/zinc/00/99/01/592009901.db2.gz YXRYAHYMLOEJLC-AMQFHODYSA-N 1 3 328.504 1.941 20 10 EDCDHO CN(C)c1ccc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000841004492 594837713 /nfs/dbraw/zinc/83/77/13/594837713.db2.gz IQRGHWYZCQQNIA-KRWDZBQOSA-N 1 3 344.503 1.914 20 10 EDCDHO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000841004492 594837715 /nfs/dbraw/zinc/83/77/15/594837715.db2.gz IQRGHWYZCQQNIA-KRWDZBQOSA-N 1 3 344.503 1.914 20 10 EDCDHO CN(C)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069946 594847370 /nfs/dbraw/zinc/84/73/70/594847370.db2.gz GPCMAMZRCWCXEK-HNNXBMFYSA-N 1 3 330.398 1.678 20 10 EDCDHO CCOc1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122408 595292377 /nfs/dbraw/zinc/29/23/77/595292377.db2.gz SCHOSVWNYHZLEN-OAHLLOKOSA-N 1 3 335.448 1.610 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000848716359 595435049 /nfs/dbraw/zinc/43/50/49/595435049.db2.gz BZWWNNPQMSJIOI-IRXDYDNUSA-N 1 3 332.492 1.677 20 10 EDCDHO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775723541 580398527 /nfs/dbraw/zinc/39/85/27/580398527.db2.gz BFYCNLRTDNPPBN-IBGZPJMESA-N 1 3 346.519 1.327 20 10 EDCDHO COc1ccc(N(C)CCN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768667 592310358 /nfs/dbraw/zinc/31/03/58/592310358.db2.gz OSDQPHPSZIKGBA-RBUKOAKNSA-N 1 3 333.476 1.832 20 10 EDCDHO NC(=O)[C@H]1CCCN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889913 593645367 /nfs/dbraw/zinc/64/53/67/593645367.db2.gz QKLUDJUSOAIKBM-JENIJYKNSA-N 1 3 344.503 1.995 20 10 EDCDHO NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817889913 593645369 /nfs/dbraw/zinc/64/53/69/593645369.db2.gz QKLUDJUSOAIKBM-JENIJYKNSA-N 1 3 344.503 1.995 20 10 EDCDHO O=[N+]([O-])c1cc(CNCCN2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841044740 594843689 /nfs/dbraw/zinc/84/36/89/594843689.db2.gz GYFOCJPJGJYQLB-UHFFFAOYSA-N 1 3 347.463 1.580 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000841846519 594963900 /nfs/dbraw/zinc/96/39/00/594963900.db2.gz PFFFJUHTZOMXGO-SFHVURJKSA-N 1 3 338.455 1.365 20 10 EDCDHO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056929 595276449 /nfs/dbraw/zinc/27/64/49/595276449.db2.gz CMHCLHPOWTVGJW-RDJZCZTQSA-N 1 3 331.460 1.781 20 10 EDCDHO Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056929 595276450 /nfs/dbraw/zinc/27/64/50/595276450.db2.gz CMHCLHPOWTVGJW-RDJZCZTQSA-N 1 3 331.460 1.781 20 10 EDCDHO Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843122363 595292442 /nfs/dbraw/zinc/29/24/42/595292442.db2.gz RAWIRXUAVJFFHG-SFHVURJKSA-N 1 3 332.492 1.881 20 10 EDCDHO CN1CCN(c2ccc(C[N@H+](C)[C@H]3CN4CCC3CC4)cc2)CC1 ZINC000877705983 597549234 /nfs/dbraw/zinc/54/92/34/597549234.db2.gz CUMZMPWTVDRQIH-FQEVSTJZSA-N 1 3 328.504 1.964 20 10 EDCDHO CN1CCN(c2ccc(C[N@@H+](C)[C@H]3CN4CCC3CC4)cc2)CC1 ZINC000877705983 597549235 /nfs/dbraw/zinc/54/92/35/597549235.db2.gz CUMZMPWTVDRQIH-FQEVSTJZSA-N 1 3 328.504 1.964 20 10 EDCDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000877705983 597549236 /nfs/dbraw/zinc/54/92/36/597549236.db2.gz CUMZMPWTVDRQIH-FQEVSTJZSA-N 1 3 328.504 1.964 20 10 EDCDHO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)CC1 ZINC000768464549 580213964 /nfs/dbraw/zinc/21/39/64/580213964.db2.gz BFHRJQOJJZYWIG-KDOFPFPSSA-N 1 3 332.444 1.982 20 10 EDCDHO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)CC1 ZINC000768464549 580213965 /nfs/dbraw/zinc/21/39/65/580213965.db2.gz BFHRJQOJJZYWIG-KDOFPFPSSA-N 1 3 332.444 1.982 20 10 EDCDHO COc1cc(C)cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000894242905 591242911 /nfs/dbraw/zinc/24/29/11/591242911.db2.gz BTINJSGOCQZRKS-AWEZNQCLSA-N 1 3 335.448 1.386 20 10 EDCDHO COc1cc(C)cc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000894242905 591242913 /nfs/dbraw/zinc/24/29/13/591242913.db2.gz BTINJSGOCQZRKS-AWEZNQCLSA-N 1 3 335.448 1.386 20 10 EDCDHO C[C@@H](CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[NH+](C)C ZINC000899097996 591677221 /nfs/dbraw/zinc/67/72/21/591677221.db2.gz KAUAUTRGJCGWMP-MAUKXSAKSA-N 1 3 349.523 1.995 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903917979 592390118 /nfs/dbraw/zinc/39/01/18/592390118.db2.gz PMKAGRLCIGQFGD-WMZOPIPTSA-N 1 3 343.479 1.058 20 10 EDCDHO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000817888481 593645129 /nfs/dbraw/zinc/64/51/29/593645129.db2.gz GJZWVUZRSJOEPQ-JZXOWHBKSA-N 1 3 330.476 1.605 20 10 EDCDHO FC(F)(F)[C@H](CNCc1ccc2c(c1)CCO2)N1CC[NH2+]CC1 ZINC000841070100 594847294 /nfs/dbraw/zinc/84/72/94/594847294.db2.gz JYAVZBUFPDCJPL-HNNXBMFYSA-N 1 3 329.366 1.547 20 10 EDCDHO CN1CCN(c2ccc(CN3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)cc2)CC1 ZINC000897621791 591591728 /nfs/dbraw/zinc/59/17/28/591591728.db2.gz TYJBQQXJSWFGGQ-QUCCMNQESA-N 1 3 328.504 1.822 20 10 EDCDHO CN1CCN(c2ccc(CN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cc2)CC1 ZINC000897621791 591591732 /nfs/dbraw/zinc/59/17/32/591591732.db2.gz TYJBQQXJSWFGGQ-QUCCMNQESA-N 1 3 328.504 1.822 20 10 EDCDHO CN1C[C@@H]2C[N@H+](Cc3ccc(N4CCN(C)CC4)cc3)C[C@]2(C)C1 ZINC000897621791 591591737 /nfs/dbraw/zinc/59/17/37/591591737.db2.gz TYJBQQXJSWFGGQ-QUCCMNQESA-N 1 3 328.504 1.822 20 10 EDCDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(N4CCN(C)CC4)cc3)C[C@]2(C)C1 ZINC000897621791 591591739 /nfs/dbraw/zinc/59/17/39/591591739.db2.gz TYJBQQXJSWFGGQ-QUCCMNQESA-N 1 3 328.504 1.822 20 10 EDCDHO CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000819200124 593743912 /nfs/dbraw/zinc/74/39/12/593743912.db2.gz KPGACZBAPYWNHC-FQEVSTJZSA-N 1 3 347.503 1.706 20 10 EDCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000841006592 594838012 /nfs/dbraw/zinc/83/80/12/594838012.db2.gz WSIOEFXXFSDNDR-QGZVFWFLSA-N 1 3 332.492 1.772 20 10 EDCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000841006592 594838014 /nfs/dbraw/zinc/83/80/14/594838014.db2.gz WSIOEFXXFSDNDR-QGZVFWFLSA-N 1 3 332.492 1.772 20 10 EDCDHO C[C@@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841846284 594963880 /nfs/dbraw/zinc/96/38/80/594963880.db2.gz OTTVCTAJNZFITM-KBXCAEBGSA-N 1 3 332.492 1.894 20 10 EDCDHO CN(C)c1ccc(/C=C\CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048088 595273637 /nfs/dbraw/zinc/27/36/37/595273637.db2.gz MNFWZCQXBBWWSR-IVZVJUQRSA-N 1 3 330.476 1.553 20 10 EDCDHO O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CN1CCCC1 ZINC000863564471 596619756 /nfs/dbraw/zinc/61/97/56/596619756.db2.gz XSCXUUUNJDOWIO-IBGZPJMESA-N 1 3 333.476 1.194 20 10 EDCDHO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889917 593645514 /nfs/dbraw/zinc/64/55/14/593645514.db2.gz QKLUDJUSOAIKBM-SCTDSRPQSA-N 1 3 344.503 1.995 20 10 EDCDHO NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817889917 593645516 /nfs/dbraw/zinc/64/55/16/593645516.db2.gz QKLUDJUSOAIKBM-SCTDSRPQSA-N 1 3 344.503 1.995 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000817896203 593646308 /nfs/dbraw/zinc/64/63/08/593646308.db2.gz ZHVLFDABLMQBKY-LPHOPBHVSA-N 1 3 332.492 1.534 20 10 EDCDHO COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H]3CN)CC2)cc1 ZINC000817896203 593646310 /nfs/dbraw/zinc/64/63/10/593646310.db2.gz ZHVLFDABLMQBKY-LPHOPBHVSA-N 1 3 332.492 1.534 20 10 EDCDHO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000824576388 594041333 /nfs/dbraw/zinc/04/13/33/594041333.db2.gz LOGXUEDFHJMSGU-GOSISDBHSA-N 1 3 346.475 1.711 20 10 EDCDHO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000824576388 594041334 /nfs/dbraw/zinc/04/13/34/594041334.db2.gz LOGXUEDFHJMSGU-GOSISDBHSA-N 1 3 346.475 1.711 20 10 EDCDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000844911981 595412577 /nfs/dbraw/zinc/41/25/77/595412577.db2.gz QOABTJSLQKKHGC-FMKPAKJESA-N 1 3 334.416 1.982 20 10 EDCDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2[O-])OCO3)C1 ZINC000844911981 595412580 /nfs/dbraw/zinc/41/25/80/595412580.db2.gz QOABTJSLQKKHGC-FMKPAKJESA-N 1 3 334.416 1.982 20 10 EDCDHO NCc1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)nn1 ZINC000873219348 597231140 /nfs/dbraw/zinc/23/11/40/597231140.db2.gz YHECDHMGQZJBTH-UHFFFAOYSA-N 1 3 335.411 1.951 20 10 EDCDHO COc1cc(C)cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1O ZINC000893978143 591154195 /nfs/dbraw/zinc/15/41/95/591154195.db2.gz PPERSGISFMGGAS-UHFFFAOYSA-N 1 3 349.475 1.599 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817897565 593646718 /nfs/dbraw/zinc/64/67/18/593646718.db2.gz RZTHFCFVLZFTIY-XLIONFOSSA-N 1 3 346.519 1.795 20 10 EDCDHO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)C2)cc1 ZINC000818615215 593708230 /nfs/dbraw/zinc/70/82/30/593708230.db2.gz NEUYOXITVWULOE-OSGQAZFXSA-N 1 3 333.476 1.863 20 10 EDCDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058538 595276470 /nfs/dbraw/zinc/27/64/70/595276470.db2.gz VEKMXYQQZLLKJG-ZBFHGGJFSA-N 1 3 347.459 1.481 20 10 EDCDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058538 595276471 /nfs/dbraw/zinc/27/64/71/595276471.db2.gz VEKMXYQQZLLKJG-ZBFHGGJFSA-N 1 3 347.459 1.481 20 10 EDCDHO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000817888482 593645214 /nfs/dbraw/zinc/64/52/14/593645214.db2.gz GJZWVUZRSJOEPQ-LZLYRXPVSA-N 1 3 330.476 1.605 20 10 EDCDHO CN(C)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000841069822 594847321 /nfs/dbraw/zinc/84/73/21/594847321.db2.gz DSUVSJLVMVXCQR-HNNXBMFYSA-N 1 3 348.388 1.817 20 10 EDCDHO C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000841866688 594968146 /nfs/dbraw/zinc/96/81/46/594968146.db2.gz NJJNLZXLIJKGFH-OAHLLOKOSA-N 1 3 345.491 1.365 20 10 EDCDHO C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000841867134 594968158 /nfs/dbraw/zinc/96/81/58/594968158.db2.gz SGMAJXNZMJYWCJ-HNNXBMFYSA-N 1 3 345.491 1.365 20 10 EDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000853247418 595719464 /nfs/dbraw/zinc/71/94/64/595719464.db2.gz OXILOVSIKOMJRM-UHFFFAOYSA-N 1 3 335.448 1.481 20 10 EDCDHO CN1CCN(c2ccc(CN3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)CC1 ZINC000863651836 596644564 /nfs/dbraw/zinc/64/45/64/596644564.db2.gz NGSCOQCGGBPUJG-BGYRXZFFSA-N 1 3 328.504 1.870 20 10 EDCDHO COC[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCCN1 ZINC000876506896 597224570 /nfs/dbraw/zinc/22/45/70/597224570.db2.gz QGAJONKHROAMDJ-SJLPKXTDSA-N 1 3 334.464 1.027 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000892237913 590880798 /nfs/dbraw/zinc/88/07/98/590880798.db2.gz TYPQOSNVQIZDSU-SJLPKXTDSA-N 1 3 347.507 1.749 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817897566 593646712 /nfs/dbraw/zinc/64/67/12/593646712.db2.gz RZTHFCFVLZFTIY-YLJYHZDGSA-N 1 3 346.519 1.795 20 10 EDCDHO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000841099174 594850939 /nfs/dbraw/zinc/85/09/39/594850939.db2.gz GPZWQHOAJFSREU-KDOFPFPSSA-N 1 3 334.416 1.839 20 10 EDCDHO CCC(=O)N1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775658016 580396552 /nfs/dbraw/zinc/39/65/52/580396552.db2.gz LFAMSYXCVWNKDG-UHFFFAOYSA-N 1 3 344.503 1.883 20 10 EDCDHO CCC(=O)N1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775658016 580396553 /nfs/dbraw/zinc/39/65/53/580396553.db2.gz LFAMSYXCVWNKDG-UHFFFAOYSA-N 1 3 344.503 1.883 20 10 EDCDHO C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1C ZINC000892939766 591231612 /nfs/dbraw/zinc/23/16/12/591231612.db2.gz OFVBPBLKYXFLRS-HOTGVXAUSA-N 1 3 345.491 1.330 20 10 EDCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903731887 592288148 /nfs/dbraw/zinc/28/81/48/592288148.db2.gz ARPWBCTYQFHKDE-WOJBJXKFSA-N 1 3 345.487 1.724 20 10 EDCDHO C[C@@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1C[NH2+]C1 ZINC000817917073 593648418 /nfs/dbraw/zinc/64/84/18/593648418.db2.gz MWRDZOFVXHDISC-MRXNPFEDSA-N 1 3 328.504 1.916 20 10 EDCDHO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056928 595276056 /nfs/dbraw/zinc/27/60/56/595276056.db2.gz CMHCLHPOWTVGJW-NVXWUHKLSA-N 1 3 331.460 1.781 20 10 EDCDHO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056928 595276060 /nfs/dbraw/zinc/27/60/60/595276060.db2.gz CMHCLHPOWTVGJW-NVXWUHKLSA-N 1 3 331.460 1.781 20 10 EDCDHO COc1cc(O)c(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843125431 595293276 /nfs/dbraw/zinc/29/32/76/595293276.db2.gz WFNMUDFLNGCNCD-CQSZACIVSA-N 1 3 336.432 1.597 20 10 EDCDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000848717869 595435466 /nfs/dbraw/zinc/43/54/66/595435466.db2.gz WOUNROSKSUBHPY-HZPDHXFCSA-N 1 3 337.489 1.281 20 10 EDCDHO C[C@@H](NCCOCCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000863547164 596614805 /nfs/dbraw/zinc/61/48/05/596614805.db2.gz PSDVHXLKTCWNSU-CQSZACIVSA-N 1 3 325.428 1.678 20 10 EDCDHO COc1ccc(N2CC[C@@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557920 596618470 /nfs/dbraw/zinc/61/84/70/596618470.db2.gz SWBYWFQYRNCVFE-FUHWJXTLSA-N 1 3 333.476 1.568 20 10 EDCDHO [O-]c1cc2c(cc1C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530249823 449093513 /nfs/dbraw/zinc/09/35/13/449093513.db2.gz ZASJYNQPGWZKOC-HNNXBMFYSA-N 1 3 334.416 1.711 20 10 EDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517410 592009374 /nfs/dbraw/zinc/00/93/74/592009374.db2.gz LTSSPCOGLWQQFJ-QZHFEQFPSA-N 1 3 334.508 1.697 20 10 EDCDHO COC[C@@H](CCC[NH3+])NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934171 593650094 /nfs/dbraw/zinc/65/00/94/593650094.db2.gz BYNDMLNVEDXEQO-CQSZACIVSA-N 1 3 343.418 1.645 20 10 EDCDHO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000848717004 595434941 /nfs/dbraw/zinc/43/49/41/595434941.db2.gz MHJZSFHMEBZBEB-IXDOHACOSA-N 1 3 330.476 1.748 20 10 EDCDHO CN(C)CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592955542 449075777 /nfs/dbraw/zinc/07/57/77/449075777.db2.gz AIYROBLNWDJCFU-OAHLLOKOSA-N 1 3 341.459 1.928 20 10 EDCDHO Cc1c(C[C@H](C[NH3+])CNC[C@@H](N)c2ccc(N(C)C)cc2)cnn1C ZINC000903918230 592390988 /nfs/dbraw/zinc/39/09/88/592390988.db2.gz VLLTXCLWLIHDHM-DNVCBOLYSA-N 1 3 344.507 1.202 20 10 EDCDHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817858917 593641867 /nfs/dbraw/zinc/64/18/67/593641867.db2.gz FKMAGAQRHHJHLT-LJQANCHMSA-N 1 3 340.471 1.944 20 10 EDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000854231270 596010013 /nfs/dbraw/zinc/01/00/13/596010013.db2.gz IISUVUZDQZRZRJ-MRXNPFEDSA-N 1 3 331.460 1.960 20 10 EDCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746112 596237543 /nfs/dbraw/zinc/23/75/43/596237543.db2.gz IMJFIPFBDRYHLH-SFHVURJKSA-N 1 3 331.460 1.476 20 10 EDCDHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776246159 580412660 /nfs/dbraw/zinc/41/26/60/580412660.db2.gz PDYJBPBZAHDPAK-INIZCTEOSA-N 1 3 349.523 1.948 20 10 EDCDHO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895848387 591287392 /nfs/dbraw/zinc/28/73/92/591287392.db2.gz MXFVGFQDLMZDFP-INIZCTEOSA-N 1 3 332.448 1.369 20 10 EDCDHO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895848387 591287394 /nfs/dbraw/zinc/28/73/94/591287394.db2.gz MXFVGFQDLMZDFP-INIZCTEOSA-N 1 3 332.448 1.369 20 10 EDCDHO C[C@H]([NH3+])C1(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCOCC1 ZINC000911668189 592974645 /nfs/dbraw/zinc/97/46/45/592974645.db2.gz VXQIRYJROWJZFT-BBRMVZONSA-N 1 3 334.464 1.013 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CC[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817896105 593646284 /nfs/dbraw/zinc/64/62/84/593646284.db2.gz YMGCOGDEXRFSHW-PXNSSMCTSA-N 1 3 346.519 1.795 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CC[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817896107 593646328 /nfs/dbraw/zinc/64/63/28/593646328.db2.gz YMGCOGDEXRFSHW-XLIONFOSSA-N 1 3 346.519 1.795 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846706 594964183 /nfs/dbraw/zinc/96/41/83/594964183.db2.gz TUTDUKKOTNRVJC-IEBWSBKVSA-N 1 3 340.471 1.829 20 10 EDCDHO CN(C)c1ccc(/C=C/CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048091 595273601 /nfs/dbraw/zinc/27/36/01/595273601.db2.gz MNFWZCQXBBWWSR-RCFWFJCLSA-N 1 3 330.476 1.553 20 10 EDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000854231269 596009757 /nfs/dbraw/zinc/00/97/57/596009757.db2.gz IISUVUZDQZRZRJ-INIZCTEOSA-N 1 3 331.460 1.960 20 10 EDCDHO COc1ccc(N2CCCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736025 592298928 /nfs/dbraw/zinc/29/89/28/592298928.db2.gz FZKLYWWKLFKFTP-PMACEKPBSA-N 1 3 345.487 1.976 20 10 EDCDHO C[C@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841846291 594963869 /nfs/dbraw/zinc/96/38/69/594963869.db2.gz OTTVCTAJNZFITM-RDTXWAMCSA-N 1 3 332.492 1.894 20 10 EDCDHO C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000900864153 592150659 /nfs/dbraw/zinc/15/06/59/592150659.db2.gz VVHAVOFQMHRCGF-FHLIZLRMSA-N 1 3 332.492 1.812 20 10 EDCDHO C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000900864153 592150660 /nfs/dbraw/zinc/15/06/60/592150660.db2.gz VVHAVOFQMHRCGF-FHLIZLRMSA-N 1 3 332.492 1.812 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817897430 593646854 /nfs/dbraw/zinc/64/68/54/593646854.db2.gz PHUZHSZASKVYRU-XLIONFOSSA-N 1 3 346.519 1.937 20 10 EDCDHO COc1ccc(N2CC[C@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557921 596618437 /nfs/dbraw/zinc/61/84/37/596618437.db2.gz SWBYWFQYRNCVFE-SJLPKXTDSA-N 1 3 333.476 1.568 20 10 EDCDHO COc1cc([O-])c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1OC ZINC000904391480 592242823 /nfs/dbraw/zinc/24/28/23/592242823.db2.gz HACGBSBTHJHBPA-AWEZNQCLSA-N 1 3 336.432 1.739 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000832285696 594740441 /nfs/dbraw/zinc/74/04/41/594740441.db2.gz SJTBYCMSLDYAJX-OALUTQOASA-N 1 3 338.455 1.756 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000841846694 594963696 /nfs/dbraw/zinc/96/36/96/594963696.db2.gz SKSHLRJAGSVMCW-BGTYHANMSA-N 1 3 330.476 1.789 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(C)(C)N)no2)cc1 ZINC000852791759 595544590 /nfs/dbraw/zinc/54/45/90/595544590.db2.gz LUIIYEDJHITKOI-ZDUSSCGKSA-N 1 3 331.420 1.364 20 10 EDCDHO CN(C)c1ccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878865686 597739024 /nfs/dbraw/zinc/73/90/24/597739024.db2.gz AJDOVEATCSJNHC-UHFFFAOYSA-N 1 3 344.503 1.787 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000899097794 591678189 /nfs/dbraw/zinc/67/81/89/591678189.db2.gz GVTXCDBOIQTUQE-QGZVFWFLSA-N 1 3 349.523 1.995 20 10 EDCDHO CCOc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255423 596856615 /nfs/dbraw/zinc/85/66/15/596856615.db2.gz WQSPETCBHMDVCG-FMKPAKJESA-N 1 3 347.415 1.158 20 10 EDCDHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092615518 441813717 /nfs/dbraw/zinc/81/37/17/441813717.db2.gz CVWBPOWHJFBVGC-UHFFFAOYSA-N 1 3 332.492 1.642 20 10 EDCDHO CN1CCN(c2ccc(CN3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000775654101 580396364 /nfs/dbraw/zinc/39/63/64/580396364.db2.gz FPQOJJUBLKXLRU-UHFFFAOYSA-N 1 3 328.504 1.966 20 10 EDCDHO CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891415676 591071452 /nfs/dbraw/zinc/07/14/52/591071452.db2.gz ILSXOSKUSVTAJQ-GOSISDBHSA-N 1 3 349.523 1.996 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)N(C)C)cc1 ZINC000905703275 592616305 /nfs/dbraw/zinc/61/63/05/592616305.db2.gz HJORPCAHKAXDDM-RTBURBONSA-N 1 3 334.508 1.400 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000905703275 592616306 /nfs/dbraw/zinc/61/63/06/592616306.db2.gz HJORPCAHKAXDDM-RTBURBONSA-N 1 3 334.508 1.400 20 10 EDCDHO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000819200125 593743943 /nfs/dbraw/zinc/74/39/43/593743943.db2.gz KPGACZBAPYWNHC-HXUWFJFHSA-N 1 3 347.503 1.706 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000841845867 594964019 /nfs/dbraw/zinc/96/40/19/594964019.db2.gz HDKFNTDMNGKZCJ-ZDUSSCGKSA-N 1 3 333.461 1.140 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000817896205 593646506 /nfs/dbraw/zinc/64/65/06/593646506.db2.gz ZHVLFDABLMQBKY-VQIMIIECSA-N 1 3 332.492 1.534 20 10 EDCDHO COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]3CN)CC2)cc1 ZINC000817896205 593646507 /nfs/dbraw/zinc/64/65/07/593646507.db2.gz ZHVLFDABLMQBKY-VQIMIIECSA-N 1 3 332.492 1.534 20 10 EDCDHO [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841044200 594843796 /nfs/dbraw/zinc/84/37/96/594843796.db2.gz BKVKWSWDSPNTLB-UHFFFAOYSA-N 1 3 341.455 1.966 20 10 EDCDHO CN(CC[NH3+])C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000841867046 594968087 /nfs/dbraw/zinc/96/80/87/594968087.db2.gz PLSOEKYGCUVVDE-UHFFFAOYSA-N 1 3 345.491 1.319 20 10 EDCDHO Fc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1N1CCOCC1 ZINC000843121149 595291697 /nfs/dbraw/zinc/29/16/97/595291697.db2.gz FYTZSCPCNOFBCM-QGZVFWFLSA-N 1 3 348.466 1.142 20 10 EDCDHO CN1CCC(O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877061702 597424350 /nfs/dbraw/zinc/42/43/50/597424350.db2.gz QHLADMFUDFEADN-UHFFFAOYSA-N 1 3 333.476 1.194 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867137 443131242 /nfs/dbraw/zinc/13/12/42/443131242.db2.gz WTTQBLFRAAHSRI-ROUUACIJSA-N 1 3 346.519 1.890 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867137 443131247 /nfs/dbraw/zinc/13/12/47/443131247.db2.gz WTTQBLFRAAHSRI-ROUUACIJSA-N 1 3 346.519 1.890 20 10 EDCDHO C[C@@]1(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CCCC[NH2+]1 ZINC000368475065 446884972 /nfs/dbraw/zinc/88/49/72/446884972.db2.gz UOLZMHLRGNUZGU-SFHVURJKSA-N 1 3 334.439 1.384 20 10 EDCDHO CN1CCN(c2ccc(CNC(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000892939170 591230940 /nfs/dbraw/zinc/23/09/40/591230940.db2.gz IRNYETVKMQXMNX-UHFFFAOYSA-N 1 3 345.491 1.332 20 10 EDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000852791432 595544567 /nfs/dbraw/zinc/54/45/67/595544567.db2.gz HGMRUGPNBHMUKG-OAHLLOKOSA-N 1 3 344.484 1.890 20 10 EDCDHO CN(C)C[C@@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876779071 597338161 /nfs/dbraw/zinc/33/81/61/597338161.db2.gz VMUCIMRQAGZLNQ-UETGSQEOSA-N 1 3 329.444 1.898 20 10 EDCDHO COc1cc(O)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282305892 444143132 /nfs/dbraw/zinc/14/31/32/444143132.db2.gz MSIOCHWRJAAHGQ-UHFFFAOYSA-N 1 3 337.464 1.525 20 10 EDCDHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000368125265 446654791 /nfs/dbraw/zinc/65/47/91/446654791.db2.gz LRXCMVRDDMEGDQ-MAUKXSAKSA-N 1 3 348.466 1.486 20 10 EDCDHO N[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592566636 448903613 /nfs/dbraw/zinc/90/36/13/448903613.db2.gz POGBRJAEXKXECJ-KBPBESRZSA-N 1 3 325.416 1.249 20 10 EDCDHO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848351 /nfs/dbraw/zinc/84/83/51/580848351.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 1 3 346.519 1.325 20 10 EDCDHO C[C@H](O)C[N@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848352 /nfs/dbraw/zinc/84/83/52/580848352.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 1 3 346.519 1.325 20 10 EDCDHO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1[O-] ZINC000903978226 592399765 /nfs/dbraw/zinc/39/97/65/592399765.db2.gz BAJCIRSRUQBHNY-IYOUNJFTSA-N 1 3 334.416 1.503 20 10 EDCDHO CCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1[O-] ZINC000903978226 592399769 /nfs/dbraw/zinc/39/97/69/592399769.db2.gz BAJCIRSRUQBHNY-IYOUNJFTSA-N 1 3 334.416 1.503 20 10 EDCDHO CN(C)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069947 594847329 /nfs/dbraw/zinc/84/73/29/594847329.db2.gz GPCMAMZRCWCXEK-OAHLLOKOSA-N 1 3 330.398 1.678 20 10 EDCDHO Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843122361 595292519 /nfs/dbraw/zinc/29/25/19/595292519.db2.gz RAWIRXUAVJFFHG-GOSISDBHSA-N 1 3 332.492 1.881 20 10 EDCDHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892431060 591025523 /nfs/dbraw/zinc/02/55/23/591025523.db2.gz OCDMPAQBUGJYOH-QAPCUYQASA-N 1 3 349.523 1.995 20 10 EDCDHO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892938804 591231249 /nfs/dbraw/zinc/23/12/49/591231249.db2.gz CSUAEFLSOIEACC-JKSUJKDBSA-N 1 3 345.491 1.330 20 10 EDCDHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(O)c1OC ZINC000894253534 591249232 /nfs/dbraw/zinc/24/92/32/591249232.db2.gz KVGFJHVZQRATGP-UHFFFAOYSA-N 1 3 337.464 1.525 20 10 EDCDHO CN(C)c1ccc([C@H](CNC(=O)N2CCCN(C)CC2)[NH+](C)C)cc1 ZINC000899102461 591682716 /nfs/dbraw/zinc/68/27/16/591682716.db2.gz PRDDJWWUODXSPN-SFHVURJKSA-N 1 3 347.507 1.702 20 10 EDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000892237914 590881260 /nfs/dbraw/zinc/88/12/60/590881260.db2.gz TYPQOSNVQIZDSU-WMZOPIPTSA-N 1 3 347.507 1.749 20 10 EDCDHO CN(C)c1ccc([C@H](CNC(=O)C2(N(C)C)CCC2)[NH+](C)C)cc1 ZINC000891248446 591017219 /nfs/dbraw/zinc/01/72/19/591017219.db2.gz LVPLGKKAUCMDCE-KRWDZBQOSA-N 1 3 332.492 1.956 20 10 EDCDHO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000899097793 591678015 /nfs/dbraw/zinc/67/80/15/591678015.db2.gz GVTXCDBOIQTUQE-KRWDZBQOSA-N 1 3 349.523 1.995 20 10 EDCDHO CN(C)c1ccc(/C=C/CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048090 595273781 /nfs/dbraw/zinc/27/37/81/595273781.db2.gz MNFWZCQXBBWWSR-NJELEJDNSA-N 1 3 330.476 1.553 20 10 EDCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230257 596009008 /nfs/dbraw/zinc/00/90/08/596009008.db2.gz KZMCUUFNRJMSFG-KYNGSXCRSA-N 1 3 333.476 1.490 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817897564 593646597 /nfs/dbraw/zinc/64/65/97/593646597.db2.gz RZTHFCFVLZFTIY-PXNSSMCTSA-N 1 3 346.519 1.795 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817897637 593646704 /nfs/dbraw/zinc/64/67/04/593646704.db2.gz UJUSBEAFJSZJTK-OALUTQOASA-N 1 3 332.492 1.677 20 10 EDCDHO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]3N)CC2)cc1 ZINC000817897637 593646705 /nfs/dbraw/zinc/64/67/05/593646705.db2.gz UJUSBEAFJSZJTK-OALUTQOASA-N 1 3 332.492 1.677 20 10 EDCDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000848717866 595435482 /nfs/dbraw/zinc/43/54/82/595435482.db2.gz WOUNROSKSUBHPY-HOTGVXAUSA-N 1 3 337.489 1.281 20 10 EDCDHO [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248534 595719101 /nfs/dbraw/zinc/71/91/01/595719101.db2.gz HGVCUXFEJQUJFQ-OAHLLOKOSA-N 1 3 341.459 1.905 20 10 EDCDHO [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248534 595719105 /nfs/dbraw/zinc/71/91/05/595719105.db2.gz HGVCUXFEJQUJFQ-OAHLLOKOSA-N 1 3 341.459 1.905 20 10 EDCDHO CN(C)c1ccc([C@H](CNC[C@H](O)C[N@H+](C)C2CC2)N(C)C)cc1 ZINC000905703273 592616025 /nfs/dbraw/zinc/61/60/25/592616025.db2.gz HJORPCAHKAXDDM-OALUTQOASA-N 1 3 334.508 1.400 20 10 EDCDHO CN(C)c1ccc([C@H](CNC[C@H](O)C[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000905703273 592616027 /nfs/dbraw/zinc/61/60/27/592616027.db2.gz HJORPCAHKAXDDM-OALUTQOASA-N 1 3 334.508 1.400 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000841845909 594963760 /nfs/dbraw/zinc/96/37/60/594963760.db2.gz HRTWEGDHJWDTEB-QZTJIDSGSA-N 1 3 326.444 1.611 20 10 EDCDHO CCOc1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122406 595292349 /nfs/dbraw/zinc/29/23/49/595292349.db2.gz SCHOSVWNYHZLEN-HNNXBMFYSA-N 1 3 335.448 1.610 20 10 EDCDHO C[NH+](C)CCOC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445364 580213121 /nfs/dbraw/zinc/21/31/21/580213121.db2.gz HJMLCARVHTUCEW-QGZVFWFLSA-N 1 3 336.432 1.361 20 10 EDCDHO COc1cccc(CNCc2ccncc2O[C@H]2CC[NH2+]C2)c1O ZINC000904452017 592264579 /nfs/dbraw/zinc/26/45/79/592264579.db2.gz GHSWYUYPWPFYFJ-HNNXBMFYSA-N 1 3 329.400 1.826 20 10 EDCDHO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889918 593645419 /nfs/dbraw/zinc/64/54/19/593645419.db2.gz QKLUDJUSOAIKBM-YQVWRLOYSA-N 1 3 344.503 1.995 20 10 EDCDHO NC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817889918 593645421 /nfs/dbraw/zinc/64/54/21/593645421.db2.gz QKLUDJUSOAIKBM-YQVWRLOYSA-N 1 3 344.503 1.995 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@@H]3CC[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817896104 593646471 /nfs/dbraw/zinc/64/64/71/593646471.db2.gz YMGCOGDEXRFSHW-FXAWDEMLSA-N 1 3 346.519 1.795 20 10 EDCDHO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CCCO)cc2)CC1 ZINC000824564328 594039546 /nfs/dbraw/zinc/03/95/46/594039546.db2.gz IXPVRWWMFBVQKH-HXUWFJFHSA-N 1 3 346.519 1.375 20 10 EDCDHO C[C@H]1C[NH+]=C(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)N1 ZINC000849052728 595475806 /nfs/dbraw/zinc/47/58/06/595475806.db2.gz SJWIKCNTZYZPBP-HNNXBMFYSA-N 1 3 327.476 1.656 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852791755 595544869 /nfs/dbraw/zinc/54/48/69/595544869.db2.gz LTIZTINOQFOFQQ-ZFWWWQNUSA-N 1 3 344.381 1.411 20 10 EDCDHO [O-]c1cc2c(cc1C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530249824 449093586 /nfs/dbraw/zinc/09/35/86/449093586.db2.gz ZASJYNQPGWZKOC-OAHLLOKOSA-N 1 3 334.416 1.711 20 10 EDCDHO C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000892938801 591231404 /nfs/dbraw/zinc/23/14/04/591231404.db2.gz CSUAEFLSOIEACC-CVEARBPZSA-N 1 3 345.491 1.330 20 10 EDCDHO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056927 595276235 /nfs/dbraw/zinc/27/62/35/595276235.db2.gz CMHCLHPOWTVGJW-DOTOQJQBSA-N 1 3 331.460 1.781 20 10 EDCDHO Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056927 595276237 /nfs/dbraw/zinc/27/62/37/595276237.db2.gz CMHCLHPOWTVGJW-DOTOQJQBSA-N 1 3 331.460 1.781 20 10 EDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000844222384 595306642 /nfs/dbraw/zinc/30/66/42/595306642.db2.gz CZPYWRMBDWCGEO-UHFFFAOYSA-N 1 3 344.503 1.787 20 10 EDCDHO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CN1CCCC1 ZINC000863551593 596615639 /nfs/dbraw/zinc/61/56/39/596615639.db2.gz OAIFCBZWLVCDSV-SFHVURJKSA-N 1 3 335.517 1.786 20 10 EDCDHO COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC000939211468 699359882 /nfs/dbraw/zinc/35/98/82/699359882.db2.gz SDJUHDUNWXWQCT-PBHICJAKSA-N 1 3 342.443 1.906 20 10 EDCDHO COC[C@@H](CCC[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817888007 593645170 /nfs/dbraw/zinc/64/51/70/593645170.db2.gz IKCZCCNQQMXNJQ-OAHLLOKOSA-N 1 3 325.428 1.506 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817897428 593646666 /nfs/dbraw/zinc/64/66/66/593646666.db2.gz PHUZHSZASKVYRU-FXAWDEMLSA-N 1 3 346.519 1.937 20 10 EDCDHO CC[C@]1(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CCC[NH2+]1 ZINC000134366837 442474413 /nfs/dbraw/zinc/47/44/13/442474413.db2.gz JQJPAAUOICOYRH-GOSISDBHSA-N 1 3 334.439 1.384 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903917977 592390669 /nfs/dbraw/zinc/39/06/69/592390669.db2.gz PMKAGRLCIGQFGD-FUHWJXTLSA-N 1 3 343.479 1.058 20 10 EDCDHO CCOc1cccc(CNCC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620134 593535635 /nfs/dbraw/zinc/53/56/35/593535635.db2.gz KDIUICVCEPJBJZ-UHFFFAOYSA-N 1 3 349.475 1.873 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817897431 593646676 /nfs/dbraw/zinc/64/66/76/593646676.db2.gz PHUZHSZASKVYRU-YLJYHZDGSA-N 1 3 346.519 1.937 20 10 EDCDHO [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC000817974178 593652948 /nfs/dbraw/zinc/65/29/48/593652948.db2.gz ZZNZIOKIWIEAHV-GXTWGEPZSA-N 1 3 329.366 1.805 20 10 EDCDHO CN1CCN(c2ccc(CN3CCC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000822520466 594061538 /nfs/dbraw/zinc/06/15/38/594061538.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 1 3 328.504 1.964 20 10 EDCDHO CN1CCN(c2ccc(CN3CCC[C@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000822520466 594061540 /nfs/dbraw/zinc/06/15/40/594061540.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 1 3 328.504 1.964 20 10 EDCDHO CN1C[C@@H]2CCC[N@H+](Cc3ccc(N4CCN(C)CC4)cc3)[C@@H]2C1 ZINC000822520466 594061541 /nfs/dbraw/zinc/06/15/41/594061541.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 1 3 328.504 1.964 20 10 EDCDHO CN1C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCN(C)CC4)cc3)[C@@H]2C1 ZINC000822520466 594061542 /nfs/dbraw/zinc/06/15/42/594061542.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 1 3 328.504 1.964 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846705 594963720 /nfs/dbraw/zinc/96/37/20/594963720.db2.gz TUTDUKKOTNRVJC-HKUYNNGSSA-N 1 3 340.471 1.829 20 10 EDCDHO COc1ccc(N2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000852747148 596237693 /nfs/dbraw/zinc/23/76/93/596237693.db2.gz YCEGIDFAXRIAQA-GOSISDBHSA-N 1 3 331.460 1.728 20 10 EDCDHO COc1ccc(N2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000852747148 596237694 /nfs/dbraw/zinc/23/76/94/596237694.db2.gz YCEGIDFAXRIAQA-GOSISDBHSA-N 1 3 331.460 1.728 20 10 EDCDHO CC(=O)N1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775644275 580396072 /nfs/dbraw/zinc/39/60/72/580396072.db2.gz DHVAUFBZXMJAKU-UHFFFAOYSA-N 1 3 330.476 1.493 20 10 EDCDHO CC(=O)N1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775644275 580396073 /nfs/dbraw/zinc/39/60/73/580396073.db2.gz DHVAUFBZXMJAKU-UHFFFAOYSA-N 1 3 330.476 1.493 20 10 EDCDHO C[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841846286 594964009 /nfs/dbraw/zinc/96/40/09/594964009.db2.gz OTTVCTAJNZFITM-KDOFPFPSSA-N 1 3 332.492 1.894 20 10 EDCDHO C[C@@H]1CC2(CN1CC(=O)NCc1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000844225088 595309332 /nfs/dbraw/zinc/30/93/32/595309332.db2.gz YBFDZJBJWFOVCT-MRXNPFEDSA-N 1 3 344.503 1.833 20 10 EDCDHO CN1CCC[NH+]=C1NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000849112592 595483869 /nfs/dbraw/zinc/48/38/69/595483869.db2.gz XCUFLWTUJGOJTF-UHFFFAOYSA-N 1 3 341.503 2.000 20 10 EDCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221964 596006580 /nfs/dbraw/zinc/00/65/80/596006580.db2.gz VXTZZDQKJFVKBO-ZIAGYGMSSA-N 1 3 325.478 1.137 20 10 EDCDHO CN(C)c1ccc([C@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000891248498 591017079 /nfs/dbraw/zinc/01/70/79/591017079.db2.gz NKVLTROLOCTHCP-SFHVURJKSA-N 1 3 332.492 1.956 20 10 EDCDHO C[C@@H]1C[NH+]=C(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)N1 ZINC000849052729 595475671 /nfs/dbraw/zinc/47/56/71/595475671.db2.gz SJWIKCNTZYZPBP-OAHLLOKOSA-N 1 3 327.476 1.656 20 10 EDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000853247552 595719598 /nfs/dbraw/zinc/71/95/98/595719598.db2.gz TYUPCKIFLWMVFX-UHFFFAOYSA-N 1 3 349.431 1.201 20 10 EDCDHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892431058 591025352 /nfs/dbraw/zinc/02/53/52/591025352.db2.gz OCDMPAQBUGJYOH-CRAIPNDOSA-N 1 3 349.523 1.995 20 10 EDCDHO COc1cc([O-])c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000904391481 592243218 /nfs/dbraw/zinc/24/32/18/592243218.db2.gz HACGBSBTHJHBPA-CQSZACIVSA-N 1 3 336.432 1.739 20 10 EDCDHO C[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)(N2CCOCC2)CC1 ZINC000840831681 594819375 /nfs/dbraw/zinc/81/93/75/594819375.db2.gz IPARHWFZAMJGNU-QGZVFWFLSA-N 1 3 345.487 1.766 20 10 EDCDHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894917 595966426 /nfs/dbraw/zinc/96/64/26/595966426.db2.gz BGQBLQPYIGHQDN-QFBILLFUSA-N 1 3 335.492 1.875 20 10 EDCDHO COc1cccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1O ZINC000863642280 596641555 /nfs/dbraw/zinc/64/15/55/596641555.db2.gz NPLRVQGTILBSPH-ZBFHGGJFSA-N 1 3 347.415 1.158 20 10 EDCDHO Cc1c(C[C@@H](C[NH3+])CNC[C@H](N)c2ccc(N(C)C)cc2)cnn1C ZINC000903918232 592390723 /nfs/dbraw/zinc/39/07/23/592390723.db2.gz VLLTXCLWLIHDHM-KXBFYZLASA-N 1 3 344.507 1.202 20 10 EDCDHO C[C@H](NCc1ccc(N2CCN(CC3CC3)CC2)cc1)C1C[NH2+]C1 ZINC000817917072 593648495 /nfs/dbraw/zinc/64/84/95/593648495.db2.gz MWRDZOFVXHDISC-INIZCTEOSA-N 1 3 328.504 1.916 20 10 EDCDHO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000840934508 594829830 /nfs/dbraw/zinc/82/98/30/594829830.db2.gz RANQDKNJAHWJHM-KRWDZBQOSA-N 1 3 332.492 1.738 20 10 EDCDHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1(C)C ZINC000841846821 594964313 /nfs/dbraw/zinc/96/43/13/594964313.db2.gz WCURDNKCQILUFR-MDZRGWNJSA-N 1 3 348.491 1.401 20 10 EDCDHO CN1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000799346529 581026076 /nfs/dbraw/zinc/02/60/76/581026076.db2.gz NAQYHVUYTVRVKA-UHFFFAOYSA-N 1 3 346.519 1.639 20 10 EDCDHO Cc1c(C[C@@H](C[NH3+])CNC[C@@H](N)c2ccc(N(C)C)cc2)cnn1C ZINC000903918231 592390236 /nfs/dbraw/zinc/39/02/36/592390236.db2.gz VLLTXCLWLIHDHM-HNAYVOBHSA-N 1 3 344.507 1.202 20 10 EDCDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888869 593645328 /nfs/dbraw/zinc/64/53/28/593645328.db2.gz KGUBVCDLKCJIES-AYBZRNKSSA-N 1 3 344.503 1.866 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000891248107 591018294 /nfs/dbraw/zinc/01/82/94/591018294.db2.gz VUMYPJHPVZVQGU-CRAIPNDOSA-N 1 3 332.492 1.813 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000891248107 591018297 /nfs/dbraw/zinc/01/82/97/591018297.db2.gz VUMYPJHPVZVQGU-CRAIPNDOSA-N 1 3 332.492 1.813 20 10 EDCDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888871 593645431 /nfs/dbraw/zinc/64/54/31/593645431.db2.gz KGUBVCDLKCJIES-SUMDDJOVSA-N 1 3 344.503 1.866 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000841845794 594963283 /nfs/dbraw/zinc/96/32/83/594963283.db2.gz DTLKJEZUJKLGIJ-QZTJIDSGSA-N 1 3 344.434 1.750 20 10 EDCDHO [NH2+]=C(NCc1ccc(N2CCN(CC3CC3)CC2)cc1)N1CCC1 ZINC000849112326 595484055 /nfs/dbraw/zinc/48/40/55/595484055.db2.gz IYDGZZQICVSZGB-UHFFFAOYSA-N 1 3 327.476 1.949 20 10 EDCDHO CN(C)c1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254419 596855878 /nfs/dbraw/zinc/85/58/78/596855878.db2.gz COPOGBCUAHNQJK-BBWFWOEESA-N 1 3 330.432 1.120 20 10 EDCDHO CC[NH+](CC)CC[C@@H](CO)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883160262 597671922 /nfs/dbraw/zinc/67/19/22/597671922.db2.gz KRNPPNPJFBGRBD-IBGZPJMESA-N 1 3 348.535 1.621 20 10 EDCDHO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848338 /nfs/dbraw/zinc/84/83/38/580848338.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 1 3 346.519 1.325 20 10 EDCDHO C[C@H](O)C[N@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848339 /nfs/dbraw/zinc/84/83/39/580848339.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 1 3 346.519 1.325 20 10 EDCDHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892658871 591114135 /nfs/dbraw/zinc/11/41/35/591114135.db2.gz OBZNPSVMATULRC-SFHVURJKSA-N 1 3 349.523 1.995 20 10 EDCDHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892658871 591114138 /nfs/dbraw/zinc/11/41/38/591114138.db2.gz OBZNPSVMATULRC-SFHVURJKSA-N 1 3 349.523 1.995 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@@H]3CC[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817896109 593646478 /nfs/dbraw/zinc/64/64/78/593646478.db2.gz YMGCOGDEXRFSHW-YLJYHZDGSA-N 1 3 346.519 1.795 20 10 EDCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000841098947 594850972 /nfs/dbraw/zinc/85/09/72/594850972.db2.gz AJLLQBCDANDDOA-GOSISDBHSA-N 1 3 328.464 1.948 20 10 EDCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000841098947 594850973 /nfs/dbraw/zinc/85/09/73/594850973.db2.gz AJLLQBCDANDDOA-GOSISDBHSA-N 1 3 328.464 1.948 20 10 EDCDHO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000841867135 594968023 /nfs/dbraw/zinc/96/80/23/594968023.db2.gz SGMAJXNZMJYWCJ-OAHLLOKOSA-N 1 3 345.491 1.365 20 10 EDCDHO CCOc1ccc(O)c(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122004 595292005 /nfs/dbraw/zinc/29/20/05/595292005.db2.gz MTHBALWMMQNTTF-OAHLLOKOSA-N 1 3 335.448 1.610 20 10 EDCDHO CN1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000771841684 580296356 /nfs/dbraw/zinc/29/63/56/580296356.db2.gz JJOPUJAMUGDKTO-INIZCTEOSA-N 1 3 337.489 1.105 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000891248497 591017383 /nfs/dbraw/zinc/01/73/83/591017383.db2.gz NKVLTROLOCTHCP-GOSISDBHSA-N 1 3 332.492 1.956 20 10 EDCDHO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1C ZINC000840954743 594832148 /nfs/dbraw/zinc/83/21/48/594832148.db2.gz JAXAWWAFKWRYCJ-UHFFFAOYSA-N 1 3 347.503 1.890 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000848716361 595435196 /nfs/dbraw/zinc/43/51/96/595435196.db2.gz BZWWNNPQMSJIOI-SJORKVTESA-N 1 3 332.492 1.677 20 10 EDCDHO C[NH2+]CCOCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000863541741 596613055 /nfs/dbraw/zinc/61/30/55/596613055.db2.gz BICJAZGAFOHVAS-AWEZNQCLSA-N 1 3 325.428 1.549 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000891247300 591016621 /nfs/dbraw/zinc/01/66/21/591016621.db2.gz TWMUAJJDBFFNKV-QGZVFWFLSA-N 1 3 332.492 1.813 20 10 EDCDHO COc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841071101 594847658 /nfs/dbraw/zinc/84/76/58/594847658.db2.gz VJSBGFUUZYUOHC-CYBMUJFWSA-N 1 3 333.354 1.327 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000841845907 594963838 /nfs/dbraw/zinc/96/38/38/594963838.db2.gz HRTWEGDHJWDTEB-MSOLQXFVSA-N 1 3 326.444 1.611 20 10 EDCDHO COc1ccc(N2CC[C@H](CNC[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557919 596618429 /nfs/dbraw/zinc/61/84/29/596618429.db2.gz SWBYWFQYRNCVFE-AEFFLSMTSA-N 1 3 333.476 1.568 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867140 443131400 /nfs/dbraw/zinc/13/14/00/443131400.db2.gz WTTQBLFRAAHSRI-ZWKOTPCHSA-N 1 3 346.519 1.890 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867140 443131402 /nfs/dbraw/zinc/13/14/02/443131402.db2.gz WTTQBLFRAAHSRI-ZWKOTPCHSA-N 1 3 346.519 1.890 20 10 EDCDHO N[C@@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592566641 448903359 /nfs/dbraw/zinc/90/33/59/448903359.db2.gz POGBRJAEXKXECJ-UONOGXRCSA-N 1 3 325.416 1.249 20 10 EDCDHO N[C@@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592567070 448904588 /nfs/dbraw/zinc/90/45/88/448904588.db2.gz POGBRJAEXKXECJ-ZIAGYGMSSA-N 1 3 325.416 1.249 20 10 EDCDHO COc1cc(C)cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000894242906 591242921 /nfs/dbraw/zinc/24/29/21/591242921.db2.gz BTINJSGOCQZRKS-CQSZACIVSA-N 1 3 335.448 1.386 20 10 EDCDHO COc1cc(C)cc(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000894242906 591242922 /nfs/dbraw/zinc/24/29/22/591242922.db2.gz BTINJSGOCQZRKS-CQSZACIVSA-N 1 3 335.448 1.386 20 10 EDCDHO NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889915 593645397 /nfs/dbraw/zinc/64/53/97/593645397.db2.gz QKLUDJUSOAIKBM-LNLFQRSKSA-N 1 3 344.503 1.995 20 10 EDCDHO NC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817889915 593645399 /nfs/dbraw/zinc/64/53/99/593645399.db2.gz QKLUDJUSOAIKBM-LNLFQRSKSA-N 1 3 344.503 1.995 20 10 EDCDHO [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC000817974179 593652707 /nfs/dbraw/zinc/65/27/07/593652707.db2.gz ZZNZIOKIWIEAHV-JSGCOSHPSA-N 1 3 329.366 1.805 20 10 EDCDHO c1cc(N2CCOCC2)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843124235 595292505 /nfs/dbraw/zinc/29/25/05/595292505.db2.gz ZRECQYCFKKXKFH-LJQANCHMSA-N 1 3 330.476 1.003 20 10 EDCDHO NCc1cccc2c1N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CCC2 ZINC000602541056 449662189 /nfs/dbraw/zinc/66/21/89/449662189.db2.gz YWZWGALQXDLRJF-OAHLLOKOSA-N 1 3 339.443 1.771 20 10 EDCDHO Oc1cc(OCc2ccccc2)ccc1CN1CCNCC[NH2+]CC1 ZINC000904397040 592244076 /nfs/dbraw/zinc/24/40/76/592244076.db2.gz WSOHGSITRHQDNH-UHFFFAOYSA-N 1 3 341.455 1.966 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1 ZINC000911668509 592974659 /nfs/dbraw/zinc/97/46/59/592974659.db2.gz YOBHLAWZKMVKEG-ZIFCJYIRSA-N 1 3 330.476 1.791 20 10 EDCDHO CN(C)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000841069824 594847347 /nfs/dbraw/zinc/84/73/47/594847347.db2.gz DSUVSJLVMVXCQR-OAHLLOKOSA-N 1 3 348.388 1.817 20 10 EDCDHO COc1cc(O)c(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843125430 595293065 /nfs/dbraw/zinc/29/30/65/595293065.db2.gz WFNMUDFLNGCNCD-AWEZNQCLSA-N 1 3 336.432 1.597 20 10 EDCDHO OC1CCN(c2ccc(CNCCC[NH+]3CCC(O)CC3)cc2)CC1 ZINC000876965458 597400190 /nfs/dbraw/zinc/40/01/90/597400190.db2.gz DEKMIDKLCVMWEU-UHFFFAOYSA-N 1 3 347.503 1.584 20 10 EDCDHO C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000892939767 591231629 /nfs/dbraw/zinc/23/16/29/591231629.db2.gz OFVBPBLKYXFLRS-HZPDHXFCSA-N 1 3 345.491 1.330 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000817894776 593646222 /nfs/dbraw/zinc/64/62/22/593646222.db2.gz OFPUUTZSWRWUPI-PXNSSMCTSA-N 1 3 346.519 1.924 20 10 EDCDHO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCC[C@H]3CN)CC2)cc1 ZINC000817894776 593646224 /nfs/dbraw/zinc/64/62/24/593646224.db2.gz OFPUUTZSWRWUPI-PXNSSMCTSA-N 1 3 346.519 1.924 20 10 EDCDHO C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000841866686 594968277 /nfs/dbraw/zinc/96/82/77/594968277.db2.gz NJJNLZXLIJKGFH-HNNXBMFYSA-N 1 3 345.491 1.365 20 10 EDCDHO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)C2)cc1 ZINC000818615219 593708075 /nfs/dbraw/zinc/70/80/75/593708075.db2.gz NEUYOXITVWULOE-VVWQDTPRSA-N 1 3 333.476 1.863 20 10 EDCDHO C[C@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000841846250 594963892 /nfs/dbraw/zinc/96/38/92/594963892.db2.gz NDLMJNCNKNALMY-UWWQBHOKSA-N 1 3 332.492 1.894 20 10 EDCDHO COc1ccc(N2CC[C@@H](CNC[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557922 596618485 /nfs/dbraw/zinc/61/84/85/596618485.db2.gz SWBYWFQYRNCVFE-WMZOPIPTSA-N 1 3 333.476 1.568 20 10 EDCDHO CN(C)C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876779068 597338151 /nfs/dbraw/zinc/33/81/51/597338151.db2.gz VMUCIMRQAGZLNQ-DMGQIGSTSA-N 1 3 329.444 1.898 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000841845840 594963950 /nfs/dbraw/zinc/96/39/50/594963950.db2.gz FXLSYBKMHRPTPI-NZZOQPFGSA-N 1 3 330.476 1.789 20 10 EDCDHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc2c(cc1O)OCO2 ZINC000289521571 444164146 /nfs/dbraw/zinc/16/41/46/444164146.db2.gz VJFLBXOECGYYPU-UHFFFAOYSA-N 1 3 335.448 1.579 20 10 EDCDHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc2c(cc1O)OCO2 ZINC000289521571 444164150 /nfs/dbraw/zinc/16/41/50/444164150.db2.gz VJFLBXOECGYYPU-UHFFFAOYSA-N 1 3 335.448 1.579 20 10 EDCDHO COc1cc(C)cc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1O ZINC000894254165 591249569 /nfs/dbraw/zinc/24/95/69/591249569.db2.gz LHAJEGKQHDYOPM-INIZCTEOSA-N 1 3 333.476 1.967 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000841846101 594963700 /nfs/dbraw/zinc/96/37/00/594963700.db2.gz KFRMYFOHFPVQJC-KSZLIROESA-N 1 3 330.476 1.504 20 10 EDCDHO C[C@H](CC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841846249 594963774 /nfs/dbraw/zinc/96/37/74/594963774.db2.gz NDLMJNCNKNALMY-QGPMSJSTSA-N 1 3 332.492 1.894 20 10 EDCDHO C[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000841846247 594963779 /nfs/dbraw/zinc/96/37/79/594963779.db2.gz NDLMJNCNKNALMY-HFTRVMKXSA-N 1 3 332.492 1.894 20 10 EDCDHO Cc1cc(N(C)C)ccc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256974 596857465 /nfs/dbraw/zinc/85/74/65/596857465.db2.gz GUMSRFKFWSWCLJ-KURKYZTESA-N 1 3 344.459 1.428 20 10 EDCDHO CN1CCN(c2ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc2)CC1 ZINC000762788156 580083243 /nfs/dbraw/zinc/08/32/43/580083243.db2.gz VETFPJIBMWOUNJ-UHFFFAOYSA-N 1 3 339.505 1.351 20 10 EDCDHO C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000840831502 594819299 /nfs/dbraw/zinc/81/92/99/594819299.db2.gz BBFVGNJZNJUIDI-INIZCTEOSA-N 1 3 333.476 1.839 20 10 EDCDHO COc1cc(N2CCN(CC3CC[NH2+]CC3)CC2)cc(OC)c1OC ZINC000843119102 595291426 /nfs/dbraw/zinc/29/14/26/595291426.db2.gz BXNZKCKUYVWNFF-UHFFFAOYSA-N 1 3 349.475 1.834 20 10 EDCDHO CCOc1cccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255424 596856635 /nfs/dbraw/zinc/85/66/35/596856635.db2.gz WQSPETCBHMDVCG-LZWOXQAQSA-N 1 3 347.415 1.158 20 10 EDCDHO COC[C@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCCN1 ZINC000876506897 597224260 /nfs/dbraw/zinc/22/42/60/597224260.db2.gz QGAJONKHROAMDJ-WMZOPIPTSA-N 1 3 334.464 1.027 20 10 EDCDHO CN1CCN(c2ccc(CN3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cc2)CC1 ZINC000877743973 597552409 /nfs/dbraw/zinc/55/24/09/597552409.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 1 3 328.504 1.964 20 10 EDCDHO CN1CCN(c2ccc(CN3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cc2)CC1 ZINC000877743973 597552410 /nfs/dbraw/zinc/55/24/10/597552410.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 1 3 328.504 1.964 20 10 EDCDHO [NH3+]CCCOC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000843055974 595276287 /nfs/dbraw/zinc/27/62/87/595276287.db2.gz BDPQGSNSCGYTJD-UHFFFAOYSA-N 1 3 333.476 1.853 20 10 EDCDHO CCOc1cccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1[O-] ZINC000853247060 595718879 /nfs/dbraw/zinc/71/88/79/595718879.db2.gz AWHCWJPKYSYGGX-UHFFFAOYSA-N 1 3 349.475 1.871 20 10 EDCDHO CCOc1ccc([O-])c(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1 ZINC000853247677 595719264 /nfs/dbraw/zinc/71/92/64/595719264.db2.gz XNHATRKHEVYYKN-UHFFFAOYSA-N 1 3 349.475 1.871 20 10 EDCDHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000368125266 446655328 /nfs/dbraw/zinc/65/53/28/446655328.db2.gz LRXCMVRDDMEGDQ-QAPCUYQASA-N 1 3 348.466 1.486 20 10 EDCDHO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)C1 ZINC000841104020 594851553 /nfs/dbraw/zinc/85/15/53/594851553.db2.gz MJTCBGJABQJJEE-ZBFHGGJFSA-N 1 3 334.416 1.839 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846708 594964212 /nfs/dbraw/zinc/96/42/12/594964212.db2.gz TUTDUKKOTNRVJC-PKOBYXMFSA-N 1 3 340.471 1.829 20 10 EDCDHO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000835037772 595250896 /nfs/dbraw/zinc/25/08/96/595250896.db2.gz MREHBVDCGKCWBA-HNSSHINMSA-N 1 3 344.503 1.943 20 10 EDCDHO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056930 595276476 /nfs/dbraw/zinc/27/64/76/595276476.db2.gz CMHCLHPOWTVGJW-WBVHZDCISA-N 1 3 331.460 1.781 20 10 EDCDHO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843056930 595276477 /nfs/dbraw/zinc/27/64/77/595276477.db2.gz CMHCLHPOWTVGJW-WBVHZDCISA-N 1 3 331.460 1.781 20 10 EDCDHO CN(C)c1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000844225888 595309642 /nfs/dbraw/zinc/30/96/42/595309642.db2.gz WZOFPSBERDFDKW-MSOLQXFVSA-N 1 3 344.503 1.690 20 10 EDCDHO Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c([O-])c1O ZINC000179495303 442465927 /nfs/dbraw/zinc/46/59/27/442465927.db2.gz OUYBXKNNOLSBRT-UHFFFAOYSA-N 1 3 337.464 1.752 20 10 EDCDHO Cc1ccc([O-])c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840955786 591032724 /nfs/dbraw/zinc/03/27/24/591032724.db2.gz WZSOQVLWFHTQMO-UHFFFAOYSA-N 1 3 333.476 1.587 20 10 EDCDHO CN(C)c1ccc([C@H](CNC[C@@H](O)C[NH+]2CCCC2)N(C)C)cc1 ZINC000905703319 592616069 /nfs/dbraw/zinc/61/60/69/592616069.db2.gz IHSKFGBMZJKBDS-MOPGFXCFSA-N 1 3 334.508 1.402 20 10 EDCDHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891377 593645704 /nfs/dbraw/zinc/64/57/04/593645704.db2.gz BELNVGVQTUUOET-NVXWUHKLSA-N 1 3 337.489 1.138 20 10 EDCDHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000827975055 594313474 /nfs/dbraw/zinc/31/34/74/594313474.db2.gz BYRNOOFLPKBGPJ-UHFFFAOYSA-N 1 3 330.476 1.486 20 10 EDCDHO Cc1cc(Br)cc(C[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000841041686 594843098 /nfs/dbraw/zinc/84/30/98/594843098.db2.gz FAJRLKYABDLBRG-UHFFFAOYSA-N 1 3 328.254 1.458 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000841846696 594964033 /nfs/dbraw/zinc/96/40/33/594964033.db2.gz SKSHLRJAGSVMCW-DDBAPUKQSA-N 1 3 330.476 1.789 20 10 EDCDHO CN(C)c1ccc(CN(C)C(=O)CN(C)C2CCC([NH3+])CC2)cc1 ZINC000844220535 595305737 /nfs/dbraw/zinc/30/57/37/595305737.db2.gz HFCHJNHMRYPEQN-UHFFFAOYSA-N 1 3 332.492 1.913 20 10 EDCDHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000268807809 443114945 /nfs/dbraw/zinc/11/49/45/443114945.db2.gz DCUVVYFJQWLMDA-VQIMIIECSA-N 1 3 333.476 1.631 20 10 EDCDHO CN1CCN(c2ccc(C[N@@H+]3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000775668751 580396763 /nfs/dbraw/zinc/39/67/63/580396763.db2.gz KFGNHXRIQSTPRF-UHFFFAOYSA-N 1 3 331.464 1.025 20 10 EDCDHO CN1CCN(c2ccc(C[N@H+]3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000775668751 580396764 /nfs/dbraw/zinc/39/67/64/580396764.db2.gz KFGNHXRIQSTPRF-UHFFFAOYSA-N 1 3 331.464 1.025 20 10 EDCDHO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)C2)cc1 ZINC000818615209 593708169 /nfs/dbraw/zinc/70/81/69/593708169.db2.gz NEUYOXITVWULOE-OHDICMOHSA-N 1 3 333.476 1.863 20 10 EDCDHO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000819199953 593743885 /nfs/dbraw/zinc/74/38/85/593743885.db2.gz IGJWNKCPCZQBGS-IBGZPJMESA-N 1 3 333.476 1.316 20 10 EDCDHO CN(C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011291 594838632 /nfs/dbraw/zinc/83/86/32/594838632.db2.gz HJHCUGAKPPPXKL-INIZCTEOSA-N 1 3 348.491 1.261 20 10 EDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000841846789 594964430 /nfs/dbraw/zinc/96/44/30/594964430.db2.gz UZYMYBKDHKHRJA-ZWKOTPCHSA-N 1 3 326.444 1.439 20 10 EDCDHO CN(C)c1ccc(/C=C\CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048089 595273545 /nfs/dbraw/zinc/27/35/45/595273545.db2.gz MNFWZCQXBBWWSR-MAVJXHJTSA-N 1 3 330.476 1.553 20 10 EDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2conc2C(C)(C)N)cc1 ZINC000848393100 595372965 /nfs/dbraw/zinc/37/29/65/595372965.db2.gz PUUIKZWTPVJTCW-CQSZACIVSA-N 1 3 331.420 1.364 20 10 EDCDHO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)CN1CCCC1 ZINC000863551583 596615221 /nfs/dbraw/zinc/61/52/21/596615221.db2.gz OAIFCBZWLVCDSV-GOSISDBHSA-N 1 3 335.517 1.786 20 10 EDCDHO O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373863011 250246792 /nfs/dbraw/zinc/24/67/92/250246792.db2.gz OHWPTEQGBWUSMX-DNVCBOLYSA-N 1 3 346.450 1.241 20 10 EDCDHO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903497428 592188278 /nfs/dbraw/zinc/18/82/78/592188278.db2.gz WIWFFQSLEGLRLB-NVXWUHKLSA-N 1 3 332.492 1.628 20 10 EDCDHO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(cc3[O-])OCO4)CC2)C1 ZINC000841104018 594851709 /nfs/dbraw/zinc/85/17/09/594851709.db2.gz MJTCBGJABQJJEE-HOCLYGCPSA-N 1 3 334.416 1.839 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000841845793 594963419 /nfs/dbraw/zinc/96/34/19/594963419.db2.gz DTLKJEZUJKLGIJ-MSOLQXFVSA-N 1 3 344.434 1.750 20 10 EDCDHO Cc1cc(N(C)C)ccc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256973 596857588 /nfs/dbraw/zinc/85/75/88/596857588.db2.gz GUMSRFKFWSWCLJ-KSZLIROESA-N 1 3 344.459 1.428 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)N(C)C)cc1 ZINC000891246840 591015847 /nfs/dbraw/zinc/01/58/47/591015847.db2.gz QGFWQMBRFRHXRA-QGZVFWFLSA-N 1 3 330.476 1.567 20 10 EDCDHO COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000849350826 595509679 /nfs/dbraw/zinc/50/96/79/595509679.db2.gz XPYYKQRBXJBTNN-HOTGVXAUSA-N 1 3 346.475 1.061 20 10 EDCDHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921690485 707720304 /nfs/dbraw/zinc/72/03/04/707720304.db2.gz NIQOTORJPYPOEQ-QGZVFWFLSA-N 1 3 331.460 1.689 20 10 EDCDHO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)CC1 ZINC000768464553 580214032 /nfs/dbraw/zinc/21/40/32/580214032.db2.gz BFHRJQOJJZYWIG-RDTXWAMCSA-N 1 3 332.444 1.982 20 10 EDCDHO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)C2)CC1 ZINC000768464553 580214033 /nfs/dbraw/zinc/21/40/33/580214033.db2.gz BFHRJQOJJZYWIG-RDTXWAMCSA-N 1 3 332.444 1.982 20 10 EDCDHO C[NH+](C)CCOCCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000779431770 580485479 /nfs/dbraw/zinc/48/54/79/580485479.db2.gz DQQSEVCRWKIKMW-UHFFFAOYSA-N 1 3 325.428 1.330 20 10 EDCDHO CN(C)c1ccc([C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)N(C)C)cc1 ZINC000902519311 592009932 /nfs/dbraw/zinc/00/99/32/592009932.db2.gz YXRYAHYMLOEJLC-DISKZWMNSA-N 1 3 328.504 1.941 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903917978 592389933 /nfs/dbraw/zinc/38/99/33/592389933.db2.gz PMKAGRLCIGQFGD-SJLPKXTDSA-N 1 3 343.479 1.058 20 10 EDCDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000103174081 593208619 /nfs/dbraw/zinc/20/86/19/593208619.db2.gz OVBNLGKLQRCFFH-UHFFFAOYSA-N 1 3 335.496 1.387 20 10 EDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230256 596008740 /nfs/dbraw/zinc/00/87/40/596008740.db2.gz KZMCUUFNRJMSFG-JVPBZIDWSA-N 1 3 333.476 1.490 20 10 EDCDHO CC[C@H](CO)[NH+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775723544 580398521 /nfs/dbraw/zinc/39/85/21/580398521.db2.gz BFYCNLRTDNPPBN-LJQANCHMSA-N 1 3 346.519 1.327 20 10 EDCDHO CN(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000840954534 591026666 /nfs/dbraw/zinc/02/66/66/591026666.db2.gz GHPOFMIWHVLOSL-UHFFFAOYSA-N 1 3 346.519 1.639 20 10 EDCDHO COC[C@H](CCC[NH3+])NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934170 593649977 /nfs/dbraw/zinc/64/99/77/593649977.db2.gz BYNDMLNVEDXEQO-AWEZNQCLSA-N 1 3 343.418 1.645 20 10 EDCDHO Cc1cc(N(C)C)ccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070723 594847287 /nfs/dbraw/zinc/84/72/87/594847287.db2.gz RWUMLWGZLVLLHE-INIZCTEOSA-N 1 3 344.425 1.987 20 10 EDCDHO [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC1CCN(C2CC2)CC1 ZINC000844218501 595305032 /nfs/dbraw/zinc/30/50/32/595305032.db2.gz BDJUWEZIFCNWPF-UHFFFAOYSA-N 1 3 342.487 1.641 20 10 EDCDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000853245157 595718827 /nfs/dbraw/zinc/71/88/27/595718827.db2.gz ULVYQSXLEHCMJL-INIZCTEOSA-N 1 3 349.523 1.824 20 10 EDCDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000853245157 595718831 /nfs/dbraw/zinc/71/88/31/595718831.db2.gz ULVYQSXLEHCMJL-INIZCTEOSA-N 1 3 349.523 1.824 20 10 EDCDHO O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000237831907 443183495 /nfs/dbraw/zinc/18/34/95/443183495.db2.gz CMKOBCQTDRVRFJ-OAHLLOKOSA-N 1 3 346.450 1.241 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000891248109 591017895 /nfs/dbraw/zinc/01/78/95/591017895.db2.gz VUMYPJHPVZVQGU-MAUKXSAKSA-N 1 3 332.492 1.813 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000891248109 591017900 /nfs/dbraw/zinc/01/79/00/591017900.db2.gz VUMYPJHPVZVQGU-MAUKXSAKSA-N 1 3 332.492 1.813 20 10 EDCDHO COC[C@H](O)C[NH2+]Cc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000819199954 593743999 /nfs/dbraw/zinc/74/39/99/593743999.db2.gz IGJWNKCPCZQBGS-LJQANCHMSA-N 1 3 333.476 1.316 20 10 EDCDHO Cc1cc(N(C)C)ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070724 594847131 /nfs/dbraw/zinc/84/71/31/594847131.db2.gz RWUMLWGZLVLLHE-MRXNPFEDSA-N 1 3 344.425 1.987 20 10 EDCDHO C[C@H](CC(=O)NC[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841846248 594963770 /nfs/dbraw/zinc/96/37/70/594963770.db2.gz NDLMJNCNKNALMY-KYJSFNMBSA-N 1 3 332.492 1.894 20 10 EDCDHO COc1cc([O-])c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000843125594 595292948 /nfs/dbraw/zinc/29/29/48/595292948.db2.gz YIHOLDDZZFPNCP-KDOFPFPSSA-N 1 3 336.432 1.738 20 10 EDCDHO COc1cc(O)c(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000843125594 595292950 /nfs/dbraw/zinc/29/29/50/595292950.db2.gz YIHOLDDZZFPNCP-KDOFPFPSSA-N 1 3 336.432 1.738 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2conc2C(C)(C)N)cc1 ZINC000848393099 595372973 /nfs/dbraw/zinc/37/29/73/595372973.db2.gz PUUIKZWTPVJTCW-AWEZNQCLSA-N 1 3 331.420 1.364 20 10 EDCDHO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)CC1 ZINC000768464551 580213978 /nfs/dbraw/zinc/21/39/78/580213978.db2.gz BFHRJQOJJZYWIG-KSSFIOAISA-N 1 3 332.444 1.982 20 10 EDCDHO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)C2)CC1 ZINC000768464551 580213979 /nfs/dbraw/zinc/21/39/79/580213979.db2.gz BFHRJQOJJZYWIG-KSSFIOAISA-N 1 3 332.444 1.982 20 10 EDCDHO COc1ccc(N(C)CCN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768665 592309948 /nfs/dbraw/zinc/30/99/48/592309948.db2.gz OSDQPHPSZIKGBA-MOPGFXCFSA-N 1 3 333.476 1.832 20 10 EDCDHO CC[C@]1(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CC[NH2+]C1 ZINC000360467530 445709607 /nfs/dbraw/zinc/70/96/07/445709607.db2.gz RTFQOFFVULVGLP-SFHVURJKSA-N 1 3 334.439 1.241 20 10 EDCDHO CN(C)CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592955541 449075613 /nfs/dbraw/zinc/07/56/13/449075613.db2.gz AIYROBLNWDJCFU-HNNXBMFYSA-N 1 3 341.459 1.928 20 10 EDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517412 592009136 /nfs/dbraw/zinc/00/91/36/592009136.db2.gz LTSSPCOGLWQQFJ-WQANXHIZSA-N 1 3 334.508 1.697 20 10 EDCDHO FC(F)(F)[C@H](CNCc1ccc2c(c1)CCCO2)N1CC[NH2+]CC1 ZINC000904354573 592237747 /nfs/dbraw/zinc/23/77/47/592237747.db2.gz DDSZCIPMTAEAHR-INIZCTEOSA-N 1 3 343.393 1.937 20 10 EDCDHO COc1ccc(N2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736028 592298752 /nfs/dbraw/zinc/29/87/52/592298752.db2.gz FZKLYWWKLFKFTP-WOJBJXKFSA-N 1 3 345.487 1.976 20 10 EDCDHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809788114 593358969 /nfs/dbraw/zinc/35/89/69/593358969.db2.gz NMRVUXDMFPIVJL-UHFFFAOYSA-N 1 3 348.535 1.839 20 10 EDCDHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000809788114 593358973 /nfs/dbraw/zinc/35/89/73/593358973.db2.gz NMRVUXDMFPIVJL-UHFFFAOYSA-N 1 3 348.535 1.839 20 10 EDCDHO COc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000849350827 595509686 /nfs/dbraw/zinc/50/96/86/595509686.db2.gz XPYYKQRBXJBTNN-HZPDHXFCSA-N 1 3 346.475 1.061 20 10 EDCDHO CN(C)c1ccc([C@H](N)CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852791753 595545059 /nfs/dbraw/zinc/54/50/59/595545059.db2.gz LTIZTINOQFOFQQ-HIFRSBDPSA-N 1 3 344.381 1.411 20 10 EDCDHO CN(C)CCN(C)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000857784339 595611456 /nfs/dbraw/zinc/61/14/56/595611456.db2.gz XCSAZGVNQNDECT-UHFFFAOYSA-N 1 3 334.508 1.496 20 10 EDCDHO C[C@H](NCCOCCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000863547163 596614545 /nfs/dbraw/zinc/61/45/45/596614545.db2.gz PSDVHXLKTCWNSU-AWEZNQCLSA-N 1 3 325.428 1.678 20 10 EDCDHO COC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCCN1 ZINC000876506895 597224322 /nfs/dbraw/zinc/22/43/22/597224322.db2.gz QGAJONKHROAMDJ-FUHWJXTLSA-N 1 3 334.464 1.027 20 10 EDCDHO C[C@H](CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[NH+](C)C ZINC000899097997 591677308 /nfs/dbraw/zinc/67/73/08/591677308.db2.gz KAUAUTRGJCGWMP-QAPCUYQASA-N 1 3 349.523 1.995 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000841846788 594964262 /nfs/dbraw/zinc/96/42/62/594964262.db2.gz UZYMYBKDHKHRJA-ROUUACIJSA-N 1 3 326.444 1.439 20 10 EDCDHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540083 596612973 /nfs/dbraw/zinc/61/29/73/596612973.db2.gz ADOVRNLAWZQZFP-AWEZNQCLSA-N 1 3 337.439 1.821 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC(=O)C2(N(C)C)CCC2)[NH+](C)C)cc1 ZINC000891248449 591017138 /nfs/dbraw/zinc/01/71/38/591017138.db2.gz LVPLGKKAUCMDCE-QGZVFWFLSA-N 1 3 332.492 1.956 20 10 EDCDHO COc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841071109 594847681 /nfs/dbraw/zinc/84/76/81/594847681.db2.gz VJSBGFUUZYUOHC-ZDUSSCGKSA-N 1 3 333.354 1.327 20 10 EDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000841846787 594964346 /nfs/dbraw/zinc/96/43/46/594964346.db2.gz UZYMYBKDHKHRJA-QZTJIDSGSA-N 1 3 326.444 1.439 20 10 EDCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230255 596008718 /nfs/dbraw/zinc/00/87/18/596008718.db2.gz KZMCUUFNRJMSFG-GDIGMMSISA-N 1 3 333.476 1.490 20 10 EDCDHO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000891248115 591017936 /nfs/dbraw/zinc/01/79/36/591017936.db2.gz VVHAVOFQMHRCGF-ZTFGCOKTSA-N 1 3 332.492 1.812 20 10 EDCDHO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000891248115 591017941 /nfs/dbraw/zinc/01/79/41/591017941.db2.gz VVHAVOFQMHRCGF-ZTFGCOKTSA-N 1 3 332.492 1.812 20 10 EDCDHO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3CN)CC2)cc1 ZINC000817897415 593646753 /nfs/dbraw/zinc/64/67/53/593646753.db2.gz OMISIKXXBYUZQI-FXAWDEMLSA-N 1 3 346.519 1.924 20 10 EDCDHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1(C)C ZINC000841846818 594964370 /nfs/dbraw/zinc/96/43/70/594964370.db2.gz WCURDNKCQILUFR-FCEWJHQRSA-N 1 3 348.491 1.401 20 10 EDCDHO CCOc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841071256 592002804 /nfs/dbraw/zinc/00/28/04/592002804.db2.gz WYSHBKHETYMIGG-CQSZACIVSA-N 1 3 347.381 1.717 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817897638 593646797 /nfs/dbraw/zinc/64/67/97/593646797.db2.gz UJUSBEAFJSZJTK-RBUKOAKNSA-N 1 3 332.492 1.677 20 10 EDCDHO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]3N)CC2)cc1 ZINC000817897638 593646799 /nfs/dbraw/zinc/64/67/99/593646799.db2.gz UJUSBEAFJSZJTK-RBUKOAKNSA-N 1 3 332.492 1.677 20 10 EDCDHO Cc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1[O-] ZINC000840955246 594832620 /nfs/dbraw/zinc/83/26/20/594832620.db2.gz PFFZUPLQWJNITA-UHFFFAOYSA-N 1 3 333.476 1.587 20 10 EDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000844225611 595309240 /nfs/dbraw/zinc/30/92/40/595309240.db2.gz SJRUCXWHDQCHGN-UHFFFAOYSA-N 1 3 344.503 1.787 20 10 EDCDHO CN(C)c1ccc(CNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000844225802 595309754 /nfs/dbraw/zinc/30/97/54/595309754.db2.gz VFSCQYFEJWMSFN-UHFFFAOYSA-N 1 3 330.476 1.444 20 10 EDCDHO COc1cc(Br)cc(C[NH2+]CCOCCC[NH3+])c1[O-] ZINC000863484857 591487987 /nfs/dbraw/zinc/48/79/87/591487987.db2.gz OEJIASPJQPEDMF-UHFFFAOYSA-N 1 3 333.226 1.618 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)N(C)C)cc1 ZINC000905703274 592616157 /nfs/dbraw/zinc/61/61/57/592616157.db2.gz HJORPCAHKAXDDM-RBUKOAKNSA-N 1 3 334.508 1.400 20 10 EDCDHO CN(C)c1ccc([C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000905703274 592616159 /nfs/dbraw/zinc/61/61/59/592616159.db2.gz HJORPCAHKAXDDM-RBUKOAKNSA-N 1 3 334.508 1.400 20 10 EDCDHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891379 593645801 /nfs/dbraw/zinc/64/58/01/593645801.db2.gz BELNVGVQTUUOET-WBVHZDCISA-N 1 3 337.489 1.138 20 10 EDCDHO COc1ccc(N2CCN(CCN[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000817894777 593646289 /nfs/dbraw/zinc/64/62/89/593646289.db2.gz OFPUUTZSWRWUPI-XLIONFOSSA-N 1 3 346.519 1.924 20 10 EDCDHO COc1ccc(N2CCN(CC[NH2+][C@H]3CCCC[C@@H]3CN)CC2)cc1 ZINC000817894777 593646290 /nfs/dbraw/zinc/64/62/90/593646290.db2.gz OFPUUTZSWRWUPI-XLIONFOSSA-N 1 3 346.519 1.924 20 10 EDCDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1 ZINC000844903172 595411202 /nfs/dbraw/zinc/41/12/02/595411202.db2.gz UFSQYCOTTBPNGA-XPKDYRNWSA-N 1 3 334.416 1.839 20 10 EDCDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1 ZINC000844903172 595411204 /nfs/dbraw/zinc/41/12/04/595411204.db2.gz UFSQYCOTTBPNGA-XPKDYRNWSA-N 1 3 334.416 1.839 20 10 EDCDHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)ccc1N(C)C ZINC000292726985 443827586 /nfs/dbraw/zinc/82/75/86/443827586.db2.gz GFCZBNZVAMWLRG-UHFFFAOYSA-N 1 3 346.519 1.951 20 10 EDCDHO CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C)C2)[NH+](C)C)cc1 ZINC000892237911 590881293 /nfs/dbraw/zinc/88/12/93/590881293.db2.gz TYPQOSNVQIZDSU-AEFFLSMTSA-N 1 3 347.507 1.749 20 10 EDCDHO CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3c(s2)CNCC3)cc1 ZINC000853246446 595718428 /nfs/dbraw/zinc/71/84/28/595718428.db2.gz KMXCZJBHFUNLGR-AWEZNQCLSA-N 1 3 331.489 1.644 20 10 EDCDHO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848281 /nfs/dbraw/zinc/84/82/81/580848281.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 1 3 346.519 1.325 20 10 EDCDHO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848282 /nfs/dbraw/zinc/84/82/82/580848282.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 1 3 346.519 1.325 20 10 EDCDHO COc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841069488 591559233 /nfs/dbraw/zinc/55/92/33/591559233.db2.gz AWBRNHCIVPTIPU-HNNXBMFYSA-N 1 3 331.382 1.929 20 10 EDCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903731884 592288515 /nfs/dbraw/zinc/28/85/15/592288515.db2.gz ARPWBCTYQFHKDE-VQTJNVASSA-N 1 3 345.487 1.724 20 10 EDCDHO COc1cccc(CNCC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620860 593535675 /nfs/dbraw/zinc/53/56/75/593535675.db2.gz OMPQCXVYIVXXDG-UHFFFAOYSA-N 1 3 335.448 1.483 20 10 EDCDHO COCC[NH2+]C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000844899857 595410341 /nfs/dbraw/zinc/41/03/41/595410341.db2.gz HCVIPHHHJQCMKU-UHFFFAOYSA-N 1 3 346.519 1.639 20 10 EDCDHO CN(C)c1ccc([C@H]([NH3+])CNCc2nc3c(s2)CNCC3)cc1 ZINC000853246447 595718888 /nfs/dbraw/zinc/71/88/88/595718888.db2.gz KMXCZJBHFUNLGR-CQSZACIVSA-N 1 3 331.489 1.644 20 10 EDCDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC000939211469 699360025 /nfs/dbraw/zinc/36/00/25/699360025.db2.gz SDJUHDUNWXWQCT-RHSMWYFYSA-N 1 3 342.443 1.906 20 10 EDCDHO NC(=O)[C@H]1CCCN(c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000817888480 593645078 /nfs/dbraw/zinc/64/50/78/593645078.db2.gz GJZWVUZRSJOEPQ-BQFCYCMXSA-N 1 3 330.476 1.605 20 10 EDCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1[O-] ZINC000843048031 595273698 /nfs/dbraw/zinc/27/36/98/595273698.db2.gz JPAJVEJYTZELFO-LBPRGKRZSA-N 1 3 325.840 1.641 20 10 EDCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1[O-] ZINC000843048031 595273701 /nfs/dbraw/zinc/27/37/01/595273701.db2.gz JPAJVEJYTZELFO-LBPRGKRZSA-N 1 3 325.840 1.641 20 10 EDCDHO CC[C@@]1(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CCC[NH2+]1 ZINC000134366860 442474773 /nfs/dbraw/zinc/47/47/73/442474773.db2.gz JQJPAAUOICOYRH-SFHVURJKSA-N 1 3 334.439 1.384 20 10 EDCDHO C[C@H](CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[NH+](C)C ZINC000899097995 591677331 /nfs/dbraw/zinc/67/73/31/591677331.db2.gz KAUAUTRGJCGWMP-CRAIPNDOSA-N 1 3 349.523 1.995 20 10 EDCDHO COc1ccc(N(C)CCN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768668 592310289 /nfs/dbraw/zinc/31/02/89/592310289.db2.gz OSDQPHPSZIKGBA-RTBURBONSA-N 1 3 333.476 1.832 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000832265912 594739135 /nfs/dbraw/zinc/73/91/35/594739135.db2.gz BKNQUTYQLAERTM-PREGVCBESA-N 1 3 334.464 1.155 20 10 EDCDHO COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c([O-])c1OC ZINC000892950287 591236813 /nfs/dbraw/zinc/23/68/13/591236813.db2.gz CFLYXUWDACOLNW-OAHLLOKOSA-N 1 3 338.448 1.736 20 10 EDCDHO COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c([O-])c1OC ZINC000892950287 591236815 /nfs/dbraw/zinc/23/68/15/591236815.db2.gz CFLYXUWDACOLNW-OAHLLOKOSA-N 1 3 338.448 1.736 20 10 EDCDHO CN1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)(N2CCOCC2)CC1 ZINC000840955858 594833014 /nfs/dbraw/zinc/83/30/14/594833014.db2.gz YRSAYTCTTPQWSA-UHFFFAOYSA-N 1 3 345.487 1.508 20 10 EDCDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000853248743 595719512 /nfs/dbraw/zinc/71/95/12/595719512.db2.gz XXGNIFKMYXHAAL-UHFFFAOYSA-N 1 3 335.448 1.481 20 10 EDCDHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894915 595966260 /nfs/dbraw/zinc/96/62/60/595966260.db2.gz BGQBLQPYIGHQDN-APWZRJJASA-N 1 3 335.492 1.875 20 10 EDCDHO COc1ccc(N2CCC([NH2+]CC3(O)CCN(C)CC3)CC2)cc1 ZINC000766122575 580159640 /nfs/dbraw/zinc/15/96/40/580159640.db2.gz KPFQVUYFDJPQKF-UHFFFAOYSA-N 1 3 333.476 1.710 20 10 EDCDHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776246161 580412666 /nfs/dbraw/zinc/41/26/66/580412666.db2.gz PDYJBPBZAHDPAK-MRXNPFEDSA-N 1 3 349.523 1.948 20 10 EDCDHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000891248113 591018038 /nfs/dbraw/zinc/01/80/38/591018038.db2.gz VVHAVOFQMHRCGF-OLMNPRSZSA-N 1 3 332.492 1.812 20 10 EDCDHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000891248113 591018042 /nfs/dbraw/zinc/01/80/42/591018042.db2.gz VVHAVOFQMHRCGF-OLMNPRSZSA-N 1 3 332.492 1.812 20 10 EDCDHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892575382 591077895 /nfs/dbraw/zinc/07/78/95/591077895.db2.gz VCNMZCNXPIJQDJ-CQSZACIVSA-N 1 3 337.464 1.525 20 10 EDCDHO [O-]c1cccc2c1[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC000817974180 593652701 /nfs/dbraw/zinc/65/27/01/593652701.db2.gz ZZNZIOKIWIEAHV-OCCSQVGLSA-N 1 3 329.366 1.805 20 10 EDCDHO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000835037774 595251006 /nfs/dbraw/zinc/25/10/06/595251006.db2.gz MREHBVDCGKCWBA-PXPSOEEZSA-N 1 3 344.503 1.943 20 10 EDCDHO COc1ccc(N2CCCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736027 592299164 /nfs/dbraw/zinc/29/91/64/592299164.db2.gz FZKLYWWKLFKFTP-VQTJNVASSA-N 1 3 345.487 1.976 20 10 EDCDHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000817858916 593641885 /nfs/dbraw/zinc/64/18/85/593641885.db2.gz FKMAGAQRHHJHLT-IBGZPJMESA-N 1 3 340.471 1.944 20 10 EDCDHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000844218561 595304963 /nfs/dbraw/zinc/30/49/63/595304963.db2.gz CQUHCOYUXFHXRC-HNNXBMFYSA-N 1 3 332.492 1.770 20 10 EDCDHO CC[C@@]1(C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CC[NH2+]C1 ZINC000360467529 445709416 /nfs/dbraw/zinc/70/94/16/445709416.db2.gz RTFQOFFVULVGLP-GOSISDBHSA-N 1 3 334.439 1.241 20 10 EDCDHO C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765797409 580151626 /nfs/dbraw/zinc/15/16/26/580151626.db2.gz PETSUQBCNLSHGT-DOTOQJQBSA-N 1 3 332.492 1.991 20 10 EDCDHO C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765797409 580151627 /nfs/dbraw/zinc/15/16/27/580151627.db2.gz PETSUQBCNLSHGT-DOTOQJQBSA-N 1 3 332.492 1.991 20 10 EDCDHO COc1ccc(N2CCN(CCCN[C@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000817897636 593646689 /nfs/dbraw/zinc/64/66/89/593646689.db2.gz UJUSBEAFJSZJTK-MOPGFXCFSA-N 1 3 332.492 1.677 20 10 EDCDHO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@H]3N)CC2)cc1 ZINC000817897636 593646690 /nfs/dbraw/zinc/64/66/90/593646690.db2.gz UJUSBEAFJSZJTK-MOPGFXCFSA-N 1 3 332.492 1.677 20 10 EDCDHO CN(C)c1ccc([C@@H](N)CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846707 594964426 /nfs/dbraw/zinc/96/44/26/594964426.db2.gz TUTDUKKOTNRVJC-MJGOQNOKSA-N 1 3 340.471 1.829 20 10 EDCDHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000892431061 591025479 /nfs/dbraw/zinc/02/54/79/591025479.db2.gz OCDMPAQBUGJYOH-YJBOKZPZSA-N 1 3 349.523 1.995 20 10 EDCDHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892575381 591078224 /nfs/dbraw/zinc/07/82/24/591078224.db2.gz VCNMZCNXPIJQDJ-AWEZNQCLSA-N 1 3 337.464 1.525 20 10 EDCDHO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)cc2)CC1 ZINC000825025168 594118106 /nfs/dbraw/zinc/11/81/06/594118106.db2.gz ZAHOGVLZPLDROF-QGZVFWFLSA-N 1 3 337.489 1.105 20 10 EDCDHO CCOc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c([O-])c1 ZINC000841070230 594847027 /nfs/dbraw/zinc/84/70/27/594847027.db2.gz MEKPUTIZTFBRPB-OAHLLOKOSA-N 1 3 347.381 1.717 20 10 EDCDHO Cc1cc(Br)cc(CN2CCC(O)(C[NH3+])CC2)c1O ZINC000841108428 594852022 /nfs/dbraw/zinc/85/20/22/594852022.db2.gz ZFEZOVRIJZUMQW-UHFFFAOYSA-N 1 3 329.238 1.749 20 10 EDCDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000844222920 595307296 /nfs/dbraw/zinc/30/72/96/595307296.db2.gz OICRBWYOLHTBQO-INIZCTEOSA-N 1 3 332.492 1.772 20 10 EDCDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1 ZINC000844903170 595411027 /nfs/dbraw/zinc/41/10/27/595411027.db2.gz UFSQYCOTTBPNGA-JGGQBBKZSA-N 1 3 334.416 1.839 20 10 EDCDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)C1 ZINC000844903170 595411028 /nfs/dbraw/zinc/41/10/28/595411028.db2.gz UFSQYCOTTBPNGA-JGGQBBKZSA-N 1 3 334.416 1.839 20 10 EDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517409 592009221 /nfs/dbraw/zinc/00/92/21/592009221.db2.gz LTSSPCOGLWQQFJ-FZDIXFNVSA-N 1 3 334.508 1.697 20 10 EDCDHO COc1cc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)cc(OC)c1OC ZINC000904342573 592234547 /nfs/dbraw/zinc/23/45/47/592234547.db2.gz KWYGKNCHWCBWQB-OKILXGFUSA-N 1 3 335.448 1.572 20 10 EDCDHO CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903731881 592288351 /nfs/dbraw/zinc/28/83/51/592288351.db2.gz ARPWBCTYQFHKDE-UXHICEINSA-N 1 3 345.487 1.724 20 10 EDCDHO CN(C[C@H]1CCCN(C(=O)CN)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011292 594838421 /nfs/dbraw/zinc/83/84/21/594838421.db2.gz HJHCUGAKPPPXKL-MRXNPFEDSA-N 1 3 348.491 1.261 20 10 EDCDHO CN(C)c1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254420 596855363 /nfs/dbraw/zinc/85/53/63/596855363.db2.gz COPOGBCUAHNQJK-ZACQAIPSSA-N 1 3 330.432 1.120 20 10 EDCDHO CC[NH+](CC)CC[C@H](CO)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883160263 597671884 /nfs/dbraw/zinc/67/18/84/597671884.db2.gz KRNPPNPJFBGRBD-LJQANCHMSA-N 1 3 348.535 1.621 20 10 EDCDHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000368125267 446655457 /nfs/dbraw/zinc/65/54/57/446655457.db2.gz LRXCMVRDDMEGDQ-YJBOKZPZSA-N 1 3 348.466 1.486 20 10 EDCDHO CN1CCN(c2ccc(C[N@H+](C)[C@H]3CCCCNC3=O)cc2)CC1 ZINC000775667317 580396739 /nfs/dbraw/zinc/39/67/39/580396739.db2.gz IPOQDDVVYKPBHK-SFHVURJKSA-N 1 3 330.476 1.539 20 10 EDCDHO CN1CCN(c2ccc(C[N@@H+](C)[C@H]3CCCCNC3=O)cc2)CC1 ZINC000775667317 580396740 /nfs/dbraw/zinc/39/67/40/580396740.db2.gz IPOQDDVVYKPBHK-SFHVURJKSA-N 1 3 330.476 1.539 20 10 EDCDHO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(N4CCN(C)CC4)cc3)C2)[nH]1 ZINC000895008532 591526309 /nfs/dbraw/zinc/52/63/09/591526309.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 1 3 340.475 1.854 20 10 EDCDHO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(N4CCN(C)CC4)cc3)C2)[nH]1 ZINC000895008532 591526310 /nfs/dbraw/zinc/52/63/10/591526310.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 1 3 340.475 1.854 20 10 EDCDHO COc1ccc(N2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736026 592298742 /nfs/dbraw/zinc/29/87/42/592298742.db2.gz FZKLYWWKLFKFTP-UXHICEINSA-N 1 3 345.487 1.976 20 10 EDCDHO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000824576389 594041443 /nfs/dbraw/zinc/04/14/43/594041443.db2.gz LOGXUEDFHJMSGU-SFHVURJKSA-N 1 3 346.475 1.711 20 10 EDCDHO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000824576389 594041445 /nfs/dbraw/zinc/04/14/45/594041445.db2.gz LOGXUEDFHJMSGU-SFHVURJKSA-N 1 3 346.475 1.711 20 10 EDCDHO [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248532 595719360 /nfs/dbraw/zinc/71/93/60/595719360.db2.gz HGVCUXFEJQUJFQ-HNNXBMFYSA-N 1 3 341.459 1.905 20 10 EDCDHO [O-]c1ccccc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248532 595719363 /nfs/dbraw/zinc/71/93/63/595719363.db2.gz HGVCUXFEJQUJFQ-HNNXBMFYSA-N 1 3 341.459 1.905 20 10 EDCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221958 596006478 /nfs/dbraw/zinc/00/64/78/596006478.db2.gz VXTZZDQKJFVKBO-KGLIPLIRSA-N 1 3 325.478 1.137 20 10 EDCDHO COC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCCN1 ZINC000876506894 597224337 /nfs/dbraw/zinc/22/43/37/597224337.db2.gz QGAJONKHROAMDJ-AEFFLSMTSA-N 1 3 334.464 1.027 20 10 EDCDHO O=C(NCc1ccc(N2CCNCC2)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237828221 443183419 /nfs/dbraw/zinc/18/34/19/443183419.db2.gz CMKOBCQTDRVRFJ-HNNXBMFYSA-N 1 3 346.450 1.241 20 10 EDCDHO O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc(N2CCNCC2)c(F)c1 ZINC000364498858 445926553 /nfs/dbraw/zinc/92/65/53/445926553.db2.gz ZKEHCWNEGYFCAS-HNNXBMFYSA-N 1 3 348.466 1.631 20 10 EDCDHO C[C@@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[NH+](C)C ZINC000895208870 591658063 /nfs/dbraw/zinc/65/80/63/591658063.db2.gz OGRNJVISLOFWNW-WMLDXEAASA-N 1 3 335.496 1.605 20 10 EDCDHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000903978839 592400736 /nfs/dbraw/zinc/40/07/36/592400736.db2.gz NCYVGXYEOBMPNE-IYOUNJFTSA-N 1 3 335.423 1.604 20 10 EDCDHO